General Information of the Compound
| Compound ID |
CP0283017
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| Compound Name |
N-cyclohexyl-2-(3-fluoro-N-[2-(1,3-thiazol-4-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
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| Structure |
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| Formula |
C26H28FN3O2S
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| Molecular Weight |
465.594
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| Canonical SMILES |
Cc1ccccc1C(N(C(=O)Cc1cscn1)c1cccc(F)c1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C26H28FN3O2S/c1-18-8-5-6-13-23(18)25(26(32)29-20-10-3-2-4-11-20)30(22-12-7-9-19(27)14-22)24(31)15-21-16-33-17-28-21/h5-9,12-14,16-17,20,25H,2-4,10-11,15H2,1H3,(H,29,32)
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| InChIKey |
RJMFNCWCWHLUKE-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic