General Information of the Compound
| Compound ID |
CP0103145
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| Compound Name |
4-cyano-3-methyl-5-[[2-(o-tolyl)quinoline-4-carbonyl]amino]thiophene-2-carboxylic acid isopropyl ester
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| Structure |
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| Formula |
C27H23N3O3S
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| Molecular Weight |
469.566
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| Canonical SMILES |
CC(C)OC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2C)c(C#N)c1C
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| InChI |
InChI=1S/C27H23N3O3S/c1-15(2)33-27(32)24-17(4)21(14-28)26(34-24)30-25(31)20-13-23(18-10-6-5-9-16(18)3)29-22-12-8-7-11-19(20)22/h5-13,15H,1-4H3,(H,30,31)
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| InChIKey |
RIGOHJMJKOQCRR-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3