General Information of the Compound
| Compound ID |
CP0439634
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| Compound Name |
2-benzyl-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-4-{spiro[indene-1,4'-piperidine]-1'-yl}butanamide
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| Structure |
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| Formula |
C33H32F6N2O
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| Molecular Weight |
586.62
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)C(CCN2CCC3(CC2)C=Cc2ccccc32)Cc2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C33H32F6N2O/c34-32(35,36)27-19-24(20-28(21-27)33(37,38)39)22-40-30(42)26(18-23-6-2-1-3-7-23)11-15-41-16-13-31(14-17-41)12-10-25-8-4-5-9-29(25)31/h1-10,12,19-21,26H,11,13-18,22H2,(H,40,42)
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| InChIKey |
BZIBJSMRZAKWJD-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