General Information of the Compound
| Compound ID |
CP0401556
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| Compound Name |
1-(2-(1-(2,4-dimethoxyphenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)ethylsulfonyl)-N-(3-methoxybenzyl)piperidin-4-amine
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| Structure |
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| Formula |
C32H41N3O7S2
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| Molecular Weight |
643.828
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| Canonical SMILES |
COc1cccc(CNC2CCN(CC2)S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)c1
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| InChI |
InChI=1S/C32H41N3O7S2/c1-40-28-9-6-7-24(21-28)23-33-26-15-18-34(19-16-26)43(36,37)20-17-27-12-11-25-8-4-5-10-30(25)35(27)44(38,39)32-14-13-29(41-2)22-31(32)42-3/h4-10,13-14,21-22,26-27,33H,11-12,15-20,23H2,1-3H3
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| InChIKey |
SYIZKKJKESEDAB-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: PT03188, Vasopressin V1b receptor
Protein ID: PT01840, Vasopressin V1b receptor