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1PC : Summary
Code
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1PC
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One-letter code
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X
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Molecule name
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1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE
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Synonyms
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PHENCYCLIDINE
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Systematic names
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Formula
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C17 H25 N
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Formal charge
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0
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Molecular weight
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243.387 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
c1ccccc1C3(N2CCCCC2)CCCCC3 |
SMILES
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CACTVS |
3.341 |
C1CCN(CC1)C2(CCCCC2)c3ccccc3 |
SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)C2(CCCCC2)N3CCCCC3 |
Canonical SMILES
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CACTVS |
3.341 |
C1CCN(CC1)C2(CCCCC2)c3ccccc3 |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
c1ccc(cc1)C2(CCCCC2)N3CCCCC3 |
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IUPAC InChI | InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2 |
IUPAC InChI key | JTJMJGYZQZDUJJ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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43 (18 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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1999-07-08
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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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