General Information of the Compound
| Compound ID |
CP0552775
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| Compound Name |
(3-benzylimidazol-4-yl)-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
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| Structure |
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| Formula |
C22H22N4O
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| Molecular Weight |
358.445
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| Canonical SMILES |
O=C(N1CCN(C2CC2)c2ccccc12)c1cncn1Cc1ccccc1
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| InChI |
InChI=1S/C22H22N4O/c27-22(21-14-23-16-24(21)15-17-6-2-1-3-7-17)26-13-12-25(18-10-11-18)19-8-4-5-9-20(19)26/h1-9,14,16,18H,10-13,15H2
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| InChIKey |
VQRVPZVSEBCKMJ-UHFFFAOYSA-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