General Information of the Compound
| Compound ID |
CP0538110
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| Compound Name |
(2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-(4-fluorophenyl)-4-{5'-methylspiro[indene-1,4'-piperidine]-1'-yl}butanamide
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| Structure |
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| Formula |
C33H31F7N2O
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| Molecular Weight |
604.61
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| Canonical SMILES |
CC1CN(CC[C@H](C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(F)cc2)CCC11C=Cc2ccccc12
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| InChI |
InChI=1S/C33H31F7N2O/c1-21-20-42(15-13-31(21)12-10-24-4-2-3-5-29(24)31)14-11-28(23-6-8-27(34)9-7-23)30(43)41-19-22-16-25(32(35,36)37)18-26(17-22)33(38,39)40/h2-10,12,16-18,21,28H,11,13-15,19-20H2,1H3,(H,41,43)/t21?,28-,31?/m0/s1
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| InChIKey |
PYXASHMZLWIZKY-GVAHTWRGSA-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