General Information of the Compound
| Compound ID |
CP0409997
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| Compound Name |
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxypyridin-3-yl)methanone
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| Structure |
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| Formula |
C27H23N3O2
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| Molecular Weight |
421.5
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| Canonical SMILES |
O=C(N1CCN(C2CC2)c2ccccc12)c1cnccc1Oc1cccc2ccccc12
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| InChI |
InChI=1S/C27H23N3O2/c31-27(30-17-16-29(20-12-13-20)23-9-3-4-10-24(23)30)22-18-28-15-14-26(22)32-25-11-5-7-19-6-1-2-8-21(19)25/h1-11,14-15,18,20H,12-13,16-17H2
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| InChIKey |
GIKLKUKUHWEEDL-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