General Information of the Compound
| Compound ID |
CP0374013
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| Compound Name |
1-(2-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethyl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
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| Structure |
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| Formula |
C27H32ClN3O2S2
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| Molecular Weight |
530.159
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N1C(CCN2CCC(CC2)NCc2cccs2)CCc2ccccc12
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| InChI |
InChI=1S/C27H32ClN3O2S2/c28-22-8-11-26(12-9-22)35(32,33)31-24(10-7-21-4-1-2-6-27(21)31)15-18-30-16-13-23(14-17-30)29-20-25-5-3-19-34-25/h1-6,8-9,11-12,19,23-24,29H,7,10,13-18,20H2
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| InChIKey |
YWKPGWQHNFOGPP-UHFFFAOYSA-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
Protein ID: PT01839, Vasopressin V1a receptor
Protein ID: PT01840, Vasopressin V1b receptor
Protein ID: PT03188, Vasopressin V1b receptor