General Information of the Compound
| Compound ID |
CP0543526
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| Compound Name |
[4-amino-2-[[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 |
C20H20Cl2N6OS
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| Molecular Weight |
463.394
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)nc1
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| InChI |
InChI=1S/C20H20Cl2N6OS/c1-27-7-9-28(10-8-27)12-5-6-15(24-11-12)25-20-26-19(23)18(30-20)17(29)16-13(21)3-2-4-14(16)22/h2-6,11H,7-10,23H2,1H3,(H,24,25,26)
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| InChIKey |
PUWXPMFEDYRLTM-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