General Information of the Compound
| Compound ID |
CP0391951
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| Compound Name |
(2S)-N-[2-(cyclopropylmethoxy)phenyl]-1-[(2,5-dichlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H26Cl2N2O2
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| Molecular Weight |
433.379
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| Canonical SMILES |
CN(C(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl)c1ccccc1OCC1CC1
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| InChI |
InChI=1S/C23H26Cl2N2O2/c1-26(20-5-2-3-7-22(20)29-15-16-8-9-16)23(28)21-6-4-12-27(21)14-17-13-18(24)10-11-19(17)25/h2-3,5,7,10-11,13,16,21H,4,6,8-9,12,14-15H2,1H3/t21-/m0/s1
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| InChIKey |
VACNFKXKXUJPNR-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