General Information of the Compound
| Compound ID |
CP0430016
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| Compound Name |
N-[[1-(4-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]methyl]-4-(thiophen-2-ylmethylamino)piperidine-1-carboxamide
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| Structure |
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| Formula |
C27H31ClN4O3S2
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| Molecular Weight |
559.157
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N1C(CNC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
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| InChI |
InChI=1S/C27H31ClN4O3S2/c28-21-8-11-25(12-9-21)37(34,35)32-23(10-7-20-4-1-2-6-26(20)32)18-30-27(33)31-15-13-22(14-16-31)29-19-24-5-3-17-36-24/h1-6,8-9,11-12,17,22-23,29H,7,10,13-16,18-19H2,(H,30,33)
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| InChIKey |
BYQQBZFUEDMIQC-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