General Information of the Compound
| Compound ID |
CP0921838
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| Compound Name |
(R)-1-(3-(benzhydrylthio)propyl)piperidine-3-carboxylic acid hydrochloride
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| Structure |
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| Formula |
C22H28ClNO2S
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| Molecular Weight |
405.991
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| Canonical SMILES |
Cl.O=C(O)[C@@H]1CCCN(CCCSC(c2ccccc2)c2ccccc2)C1
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| InChI |
InChI=1S/C22H27NO2S.ClH/c24-22(25)20-13-7-14-23(17-20)15-8-16-26-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19;/h1-6,9-12,20-21H,7-8,13-17H2,(H,24,25);1H/t20-;/m1./s1
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| InChIKey |
GKEZRVHTLIQRNL-VEIFNGETSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound