General Information of the Compound
| Compound ID |
CP0536583
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| Compound Name |
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(1-methylsulfonylpiperidin-3-yl)-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
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| Structure |
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| Formula |
C32H37F6N3O3S
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| Molecular Weight |
657.721
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| Canonical SMILES |
CS(=O)(=O)N1CCCC(C1)C(CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C32H37F6N3O3S/c1-45(43,44)41-13-4-6-24(21-41)27(9-14-40-15-11-30(12-16-40)10-8-23-5-2-3-7-28(23)30)29(42)39-20-22-17-25(31(33,34)35)19-26(18-22)32(36,37)38/h2-3,5,7-8,10,17-19,24,27H,4,6,9,11-16,20-21H2,1H3,(H,39,42)
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| InChIKey |
MTVVJDHGBGCJKF-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