General Information of the Compound
| Compound ID |
CP0521153
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| Compound Name |
N-[4-(4-fluorophenyl)-5-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-1-methylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C30H33FN8OS
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| Molecular Weight |
572.714
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| Canonical SMILES |
CN1CCC(CC1)C(=O)Nc1nc(c(s1)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H33FN8OS/c1-38-16-11-21(12-17-38)28(40)37-30-36-26(20-2-4-22(31)5-3-20)27(41-30)25-10-13-33-29(35-25)34-23-6-8-24(9-7-23)39-18-14-32-15-19-39/h2-10,13,21,32H,11-12,14-19H2,1H3,(H,33,34,35)(H,36,37,40)
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| InChIKey |
VCBBHUKMCISGES-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