General Information of the Compound
| Compound ID |
CP0536582
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| Compound Name |
(2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-methyl-2-(2-{spiro[indene-1,4'-piperidine]-1'-yl}ethyl)butanamide
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| Structure |
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| Formula |
C29H32F6N2O
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| Molecular Weight |
538.576
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| Canonical SMILES |
CC(C)[C@H](CCN1CCC2(CC1)C=Cc1ccccc21)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H32F6N2O/c1-19(2)24(8-12-37-13-10-27(11-14-37)9-7-21-5-3-4-6-25(21)27)26(38)36-18-20-15-22(28(30,31)32)17-23(16-20)29(33,34)35/h3-7,9,15-17,19,24H,8,10-14,18H2,1-2H3,(H,36,38)/t24-/m0/s1
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| InChIKey |
QBWMDSOBTUPOTG-DEOSSOPVSA-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