General Information of the Compound
| Compound ID |
CP0500671
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| Compound Name |
3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
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| Structure |
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| Formula |
C22H22ClFN6O
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| Molecular Weight |
440.91
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| Canonical SMILES |
CN1CCN(CC1)c1nccc(n1)N(C(=O)Nc1ccccc1Cl)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H22ClFN6O/c1-28-12-14-29(15-13-28)21-25-11-10-20(27-21)30(17-8-6-16(24)7-9-17)22(31)26-19-5-3-2-4-18(19)23/h2-11H,12-15H2,1H3,(H,26,31)
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| InChIKey |
NODKNHCIBSCIEL-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