General Information of the Compound
| Compound ID |
CP0538054
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| Compound Name |
N-[3-[5-carbamoyl-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-2-yl]phenyl]thiadiazole-4-carboxamide
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| Structure |
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| Formula |
C24H24N8O2S2
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| Molecular Weight |
520.644
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nc(sc2C(N)=O)-c2cccc(NC(=O)c3csnn3)c2)cc1
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| InChI |
InChI=1S/C24H24N8O2S2/c1-31-9-11-32(12-10-31)18-7-5-16(6-8-18)26-22-20(21(25)33)36-24(28-22)15-3-2-4-17(13-15)27-23(34)19-14-35-30-29-19/h2-8,13-14,26H,9-12H2,1H3,(H2,25,33)(H,27,34)
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| InChIKey |
PYKBKCMATGQNCN-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