General Information of the Compound
| Compound ID |
CP0578078
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| Compound Name |
[4-amino-2-[[2-methyl-6-(4-methyl-3-propan-2-ylpiperazin-1-yl)pyridin-3-yl]amino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
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| Structure |
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| Formula |
C24H28Cl2N6OS
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| Molecular Weight |
519.502
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| Canonical SMILES |
CC(C)C1CN(CCN1C)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
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| InChI |
InChI=1S/C24H28Cl2N6OS/c1-13(2)18-12-32(11-10-31(18)4)19-9-8-17(14(3)28-19)29-24-30-23(27)22(34-24)21(33)20-15(25)6-5-7-16(20)26/h5-9,13,18H,10-12,27H2,1-4H3,(H,29,30)
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| InChIKey |
BAJWJQKHEVLEIH-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