General Information of the Compound
| Compound ID |
CP0475198
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| Compound Name |
(2S)-N-(2-cyclobutyloxyphenyl)-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)c1ccccc1OC1CCC1
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| InChI |
InChI=1S/C23H26Cl2N2O2/c1-26(20-8-2-3-10-22(20)29-18-6-4-7-18)23(28)21-9-5-13-27(21)15-16-14-17(24)11-12-19(16)25/h2-3,8,10-12,14,18,21H,4-7,9,13,15H2,1H3/t21-/m0/s1
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| InChIKey |
KNJBXNHYOIJODP-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