General Information of the Compound
| Compound ID |
CP0438405
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanone
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| Structure |
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| Formula |
C24H27Cl2N3O
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| Molecular Weight |
444.406
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| Canonical SMILES |
Clc1ccc(Cl)c(CN2CCCC[C@@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1
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| InChI |
InChI=1S/C24H27Cl2N3O/c25-18-8-11-20(26)17(15-18)16-27-12-4-3-7-23(27)24(30)29-14-13-28(19-9-10-19)21-5-1-2-6-22(21)29/h1-2,5-6,8,11,15,19,23H,3-4,7,9-10,12-14,16H2/t23-/m1/s1
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| InChIKey |
ZMUHSHIXPFSFMB-HSZRJFAPSA-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: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1