General Information of the Compound
| Compound ID |
CP0504604
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| Compound Name |
(4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C32H28FN5O2
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| Molecular Weight |
533.607
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C32H28FN5O2/c1-21-7-12-26(28(33)17-21)30-27(22-8-10-25(40-2)11-9-22)20-35-31(36-30)32(39)38-15-13-37(14-16-38)24-18-23-5-3-4-6-29(23)34-19-24/h3-12,17-20H,13-16H2,1-2H3
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| InChIKey |
IJGBIFLPHHTYMD-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