General Information of the Compound
| Compound ID |
CP0576988
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| Compound Name |
[4-amino-2-[[3-methyl-5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)methanone
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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)c1cnc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)c1
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| InChI |
InChI=1S/C21H22Cl2N6OS/c1-12-10-13(29-8-6-28(2)7-9-29)11-25-20(12)27-21-26-19(24)18(31-21)17(30)16-14(22)4-3-5-15(16)23/h3-5,10-11H,6-9,24H2,1-2H3,(H,25,26,27)
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| InChIKey |
WTDHONKZUZNMOZ-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