General Information of the Compound
| Compound ID |
CP0483341
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| Compound Name |
N-[4-(4-fluorophenyl)-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C25H24FN7OS
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| Molecular Weight |
489.58
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| Canonical SMILES |
CC(=O)Nc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C25H24FN7OS/c1-16(34)29-25-32-22(17-2-4-18(26)5-3-17)23(35-25)21-10-11-28-24(31-21)30-19-6-8-20(9-7-19)33-14-12-27-13-15-33/h2-11,27H,12-15H2,1H3,(H,28,30,31)(H,29,32,34)
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| InChIKey |
XZWVSTWGJUAENP-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