General Information of the Compound
| Compound ID |
CP0550249
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| Compound Name |
(2,6-dichlorophenyl)-[4-(methylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]methanone
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| Structure |
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| Formula |
C22H23Cl2N5OS
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| Molecular Weight |
476.433
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| Canonical SMILES |
CNc1nc(Nc2ccc(cc2)N2CCN(C)CC2)sc1C(=O)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C22H23Cl2N5OS/c1-25-21-20(19(30)18-16(23)4-3-5-17(18)24)31-22(27-21)26-14-6-8-15(9-7-14)29-12-10-28(2)11-13-29/h3-9,25H,10-13H2,1-2H3,(H,26,27)
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| InChIKey |
GQBMFAFMTZCQTB-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