General Information of the Compound
| Compound ID |
CP0543366
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[(2S)-1-[(2,5-dichlorophenyl)methyl]-2-methylpyrrolidin-2-yl]methanone
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| Structure |
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| Formula |
C24H27Cl2N3O
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| Molecular Weight |
444.406
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| Canonical SMILES |
C[C@]1(CCCN1Cc1cc(Cl)ccc1Cl)C(=O)N1CCN(C2CC2)c2ccccc12
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| InChI |
InChI=1S/C24H27Cl2N3O/c1-24(11-4-12-27(24)16-17-15-18(25)7-10-20(17)26)23(30)29-14-13-28(19-8-9-19)21-5-2-3-6-22(21)29/h2-3,5-7,10,15,19H,4,8-9,11-14,16H2,1H3/t24-/m0/s1
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| InChIKey |
LJNFWDPBUUUGBL-DEOSSOPVSA-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