General Information of the Compound
| Compound ID |
CP0572918
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| Compound Name |
[4-amino-2-[[6-(2,4-dimethylpiperazin-1-yl)-2-methylpyridin-3-yl]amino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
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| Structure |
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| Formula |
C22H24Cl2N6OS
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| Molecular Weight |
491.448
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| Canonical SMILES |
CC1CN(C)CCN1c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)n1
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| InChI |
InChI=1S/C22H24Cl2N6OS/c1-12-11-29(3)9-10-30(12)17-8-7-16(13(2)26-17)27-22-28-21(25)20(32-22)19(31)18-14(23)5-4-6-15(18)24/h4-8,12H,9-11,25H2,1-3H3,(H,27,28)
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| InChIKey |
VPDSZVYUHWYXCW-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