General Information of the Compound
| Compound ID |
CP0552776
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone
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| Structure |
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| Formula |
C22H21FN4O
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| Molecular Weight |
376.435
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| Canonical SMILES |
Fc1ccc(Cn2cncc2C(=O)N2CCN(C3CC3)c3ccccc23)cc1
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| InChI |
InChI=1S/C22H21FN4O/c23-17-7-5-16(6-8-17)14-25-15-24-13-21(25)22(28)27-12-11-26(18-9-10-18)19-3-1-2-4-20(19)27/h1-8,13,15,18H,9-12,14H2
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| InChIKey |
YOYFGBZPWLVCSH-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