General Information of the Compound
| Compound ID |
CP0533706
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| Compound Name |
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(2,4,6-trimethylphenyl)methanone
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| Structure |
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| Formula |
C24H29N5OS
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| Molecular Weight |
435.597
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(C)cc(C)cc2C)cc1
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| InChI |
InChI=1S/C24H29N5OS/c1-15-13-16(2)20(17(3)14-15)21(30)22-23(25)27-24(31-22)26-18-5-7-19(8-6-18)29-11-9-28(4)10-12-29/h5-8,13-14H,9-12,25H2,1-4H3,(H,26,27)
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| InChIKey |
HZPVUKVIGLCUPG-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