General Information of the Compound
| Compound ID |
CP0572916
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| Compound Name |
4-amino-N-(2,6-dichlorophenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C21H22Cl2N6OS
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| Molecular Weight |
477.421
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)Nc2c(Cl)cccc2Cl)cc1
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| InChI |
InChI=1S/C21H22Cl2N6OS/c1-28-9-11-29(12-10-28)14-7-5-13(6-8-14)25-21-27-19(24)18(31-21)20(30)26-17-15(22)3-2-4-16(17)23/h2-8H,9-12,24H2,1H3,(H,25,27)(H,26,30)
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| InChIKey |
LTZPXHKJLWIAKG-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