General Information of the Compound
| Compound ID |
CP0391953
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanone
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| Structure |
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| Formula |
C23H25Cl2N3O
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| Molecular Weight |
430.379
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| Canonical SMILES |
Clc1ccc(Cl)c(CN2CCC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)c1
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| InChI |
InChI=1S/C23H25Cl2N3O/c24-17-7-10-19(25)16(14-17)15-26-11-3-6-22(26)23(29)28-13-12-27(18-8-9-18)20-4-1-2-5-21(20)28/h1-2,4-5,7,10,14,18,22H,3,6,8-9,11-13,15H2/t22-/m0/s1
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| InChIKey |
NOTZGYQAOBWBNX-QFIPXVFZSA-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: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1