General Information of the Compound
| Compound ID |
CP0518599
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| Compound Name |
ethyl 2-[3-[(4-cyanobenzoyl)amino]phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxylate
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| Structure |
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| Formula |
C31H30N6O3S
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| Molecular Weight |
566.687
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| Canonical SMILES |
CCOC(=O)c1sc(nc1Nc1ccc(cc1)N1CCN(C)CC1)-c1cccc(NC(=O)c2ccc(cc2)C#N)c1
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| InChI |
InChI=1S/C31H30N6O3S/c1-3-40-31(39)27-28(33-24-11-13-26(14-12-24)37-17-15-36(2)16-18-37)35-30(41-27)23-5-4-6-25(19-23)34-29(38)22-9-7-21(20-32)8-10-22/h4-14,19,33H,3,15-18H2,1-2H3,(H,34,38)
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| InChIKey |
HQFMEJGQHZUWOO-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