General Information of the Compound
| Compound ID |
CP0500007
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| Compound Name |
2-(1-acetylpiperidin-3-yl)-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 |
C33H37F6N3O2
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| Molecular Weight |
621.666
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| Canonical SMILES |
CC(=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/C33H37F6N3O2/c1-22(43)42-13-4-6-25(21-42)28(9-14-41-15-11-31(12-16-41)10-8-24-5-2-3-7-29(24)31)30(44)40-20-23-17-26(32(34,35)36)19-27(18-23)33(37,38)39/h2-3,5,7-8,10,17-19,25,28H,4,6,9,11-16,20-21H2,1H3,(H,40,44)
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| InChIKey |
JKIMXRFLUDBYCX-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