General Information of the Compound
| Compound ID |
CP0494368
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| Compound Name |
(5-(4-methoxyphenyl)-4-phenylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C31H27N5O2
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| Molecular Weight |
501.59
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc(nc1-c1ccccc1)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C31H27N5O2/c1-38-26-13-11-22(12-14-26)27-21-33-30(34-29(27)23-7-3-2-4-8-23)31(37)36-17-15-35(16-18-36)25-19-24-9-5-6-10-28(24)32-20-25/h2-14,19-21H,15-18H2,1H3
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| InChIKey |
UJZAJTXQIOVNRF-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