General Information of the Compound
| Compound ID |
CP0552027
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| Compound Name |
N-(2-amino-5-thiophen-2-ylphenyl)-6-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]pyridine-3-carboxamide
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| Structure |
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| Formula |
C29H21F3N6O2S2
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| Molecular Weight |
606.655
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| Canonical SMILES |
CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(cn1)C(=O)Nc1cc(ccc1N)-c1cccs1
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| InChI |
InChI=1S/C29H21F3N6O2S2/c1-28(2)26(40)37(19-8-5-17(14-33)20(13-19)29(30,31)32)27(41)38(28)24-10-7-18(15-35-24)25(39)36-22-12-16(6-9-21(22)34)23-4-3-11-42-23/h3-13,15H,34H2,1-2H3,(H,36,39)
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| InChIKey |
KSFBTXFGJBGOLZ-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