General Information of the Compound
| Compound ID |
CP0070645
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| Compound Name |
N-cyclohexyl-2-(3-fluoro-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
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| Structure |
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| Formula |
C31H32FN3O2
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| Molecular Weight |
497.614
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| Canonical SMILES |
Cc1ccccc1C(N(C(=O)Cc1c[nH]c2ccccc12)c1cccc(F)c1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C31H32FN3O2/c1-21-10-5-6-15-26(21)30(31(37)34-24-12-3-2-4-13-24)35(25-14-9-11-23(32)19-25)29(36)18-22-20-33-28-17-8-7-16-27(22)28/h5-11,14-17,19-20,24,30,33H,2-4,12-13,18H2,1H3,(H,34,37)
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| InChIKey |
GJJOEFRKCTWCTH-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