General Information of the Compound
| Compound ID |
CP0391952
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| Compound Name |
[(2S)-1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
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| Structure |
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| Formula |
C22H24Cl2N2O
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| Molecular Weight |
403.353
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| Canonical SMILES |
CC1CCN(C(=O)[C@@H]2CCCN2Cc2cc(Cl)ccc2Cl)c2ccccc12
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| InChI |
InChI=1S/C22H24Cl2N2O/c1-15-10-12-26(20-6-3-2-5-18(15)20)22(27)21-7-4-11-25(21)14-16-13-17(23)8-9-19(16)24/h2-3,5-6,8-9,13,15,21H,4,7,10-12,14H2,1H3/t15?,21-/m0/s1
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| InChIKey |
JTUZQIFHAAKUCS-FXMQYSIJSA-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