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VDN : Summary
Code
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VDN
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One-letter code
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X
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Molecule name
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2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-5-METHYL-7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-4(1H)-ONE
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Synonyms
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VARDENAFIL, LEVITRA
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Systematic names
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Formula
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C23 H32 N6 O4 S
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Formal charge
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0
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Molecular weight
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488.603 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C2N=C(Nn1c(nc(c12)C)CCC)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC)CC4 |
SMILES
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CACTVS |
3.341 |
CCCc1nc(C)c2n1NC(=NC2=O)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(CC)CC4 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C |
Canonical SMILES
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CACTVS |
3.341 |
CCCc1nc(C)c2n1NC(=NC2=O)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(CC)CC4 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCCc1nc(c2n1NC(=NC2=O)c3cc(ccc3OCC)S(=O)(=O)N4CCN(CC4)CC)C |
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IUPAC InChI | InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) |
IUPAC InChI key | SECKRCOLJRRGGV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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66 (34 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2003-07-10
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Last modified at
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2020-06-17
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Status
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Released
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Obsoleted
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Not Assigned
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