General Information of the Compound
| Compound ID |
CP0498671
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| Compound Name |
(4-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
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| Structure |
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| Formula |
C31H26ClN5O2
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| Molecular Weight |
536.035
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| Canonical SMILES |
COc1ccc(cc1)-c1cnc(nc1-c1ccccc1Cl)C(=O)N1CCN(CC1)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C31H26ClN5O2/c1-39-24-12-10-21(11-13-24)26-20-34-30(35-29(26)25-7-3-4-8-27(25)32)31(38)37-16-14-36(15-17-37)23-18-22-6-2-5-9-28(22)33-19-23/h2-13,18-20H,14-17H2,1H3
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| InChIKey |
QJGQLRDRFFWEEH-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