General Information of the Compound
| Compound ID |
CP0438398
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-[(2,5-dichlorophenyl)methyl]-4,4-difluoropyrrolidin-2-yl]methanone
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| Structure |
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| Formula |
C23H23Cl2F2N3O
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| Molecular Weight |
466.359
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| Canonical SMILES |
FC1(F)C[C@H](N(Cc2cc(Cl)ccc2Cl)C1)C(=O)N1CCN(C2CC2)c2ccccc12
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| InChI |
InChI=1S/C23H23Cl2F2N3O/c24-16-5-8-18(25)15(11-16)13-28-14-23(26,27)12-21(28)22(31)30-10-9-29(17-6-7-17)19-3-1-2-4-20(19)30/h1-5,8,11,17,21H,6-7,9-10,12-14H2/t21-/m0/s1
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| InChIKey |
SBSNCDCBUSICSF-NRFANRHFSA-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