General Information of the Compound
| Compound ID |
CP0390538
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| Compound Name |
3-(1-(4-chlorophenylsulfonyl)-1,2,3,4-tetrahydroquinolin-2-yl)-1-(4-(thiophen-2-ylmethylamino)piperidin-1-yl)propan-1-one
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| Structure |
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| Formula |
C28H32ClN3O3S2
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| Molecular Weight |
558.169
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| Canonical SMILES |
Clc1ccc(cc1)S(=O)(=O)N1C(CCC(=O)N2CCC(CC2)NCc2cccs2)CCc2ccccc12
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| InChI |
InChI=1S/C28H32ClN3O3S2/c29-22-8-12-26(13-9-22)37(34,35)32-24(10-7-21-4-1-2-6-27(21)32)11-14-28(33)31-17-15-23(16-18-31)30-20-25-5-3-19-36-25/h1-6,8-9,12-13,19,23-24,30H,7,10-11,14-18,20H2
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| InChIKey |
ZKUDYKATSJZZEJ-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