General Information of the Compound
| Compound ID |
CP0551757
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| Compound Name |
(2S)-N'-cyclobutyl-N-cyclohexyl-2-[[1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]-N-methylbutanediamide
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| Structure |
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| Formula |
C31H40F3N5O3
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| Molecular Weight |
587.687
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| Canonical SMILES |
CN(C1CCCCC1)C(=O)[C@H](CC(=O)NC1CCC1)NC(=O)c1cc(-c2ccccc2C(F)(F)F)n(n1)C1CCCC1
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| InChI |
InChI=1S/C31H40F3N5O3/c1-38(21-12-3-2-4-13-21)30(42)26(19-28(40)35-20-10-9-11-20)36-29(41)25-18-27(39(37-25)22-14-5-6-15-22)23-16-7-8-17-24(23)31(32,33)34/h7-8,16-18,20-22,26H,2-6,9-15,19H2,1H3,(H,35,40)(H,36,41)/t26-/m0/s1
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| InChIKey |
GWVDJTORAATPIS-SANMLTNESA-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