General Information of the Compound
| Compound ID |
CP0546507
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| Compound Name |
N-[(3S)-5-(2-azabicyclo[2.2.2]octan-2-yl)-1-(cyclobutylamino)-1-oxopentan-3-yl]-1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C32H42F3N5O2
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| Molecular Weight |
585.715
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| Canonical SMILES |
FC(F)(F)c1ccccc1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CC2CCC1CC2)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C32H42F3N5O2/c33-32(34,35)27-11-4-3-10-26(27)29-19-28(38-40(29)25-8-1-2-9-25)31(42)37-23(18-30(41)36-22-6-5-7-22)16-17-39-20-21-12-14-24(39)15-13-21/h3-4,10-11,19,21-25H,1-2,5-9,12-18,20H2,(H,36,41)(H,37,42)/t21?,23-,24?/m0/s1
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| InChIKey |
TVAPEESCNCJAHE-RZMWZJFBSA-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