General Information of the Compound
| Compound ID |
CP0494963
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| Compound Name |
[4-amino-2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(2,6-dichlorophenyl)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 |
CN1CCN(CC1)c1ccc(Nc2nc(N)c(s2)C(=O)c2c(Cl)cccc2Cl)c(C)c1
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| InChI |
InChI=1S/C22H23Cl2N5OS/c1-13-12-14(29-10-8-28(2)9-11-29)6-7-17(13)26-22-27-21(25)20(31-22)19(30)18-15(23)4-3-5-16(18)24/h3-7,12H,8-11,25H2,1-2H3,(H,26,27)
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| InChIKey |
JDWXSDWMRKCGRC-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