General Information of the Compound
| Compound ID |
CP0452602
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| Compound Name |
3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
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| Structure |
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| Formula |
C24H24Cl2FN5O
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| Molecular Weight |
488.394
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| Canonical SMILES |
Fc1ccc(CN(CCC(=O)N2CCN(CC2)c2ncccn2)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C24H24Cl2FN5O/c25-21-7-6-20(16-22(21)26)32(17-18-2-4-19(27)5-3-18)11-8-23(33)30-12-14-31(15-13-30)24-28-9-1-10-29-24/h1-7,9-10,16H,8,11-15,17H2
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| InChIKey |
ZLBYZWDWAHDAEK-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