General Information of the Compound
| Compound ID |
CP0467333
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| Compound Name |
(2R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-(2-{spiro[indene-1,4'-piperidine]-1'-yl}ethyl)pent-4-enamide
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| Structure |
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| Formula |
C29H30F6N2O
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| Molecular Weight |
536.56
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)[C@@H](CCN2CCC3(CC2)C=Cc2ccccc32)CC=C)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H30F6N2O/c1-2-5-22(9-13-37-14-11-27(12-15-37)10-8-21-6-3-4-7-25(21)27)26(38)36-19-20-16-23(28(30,31)32)18-24(17-20)29(33,34)35/h2-4,6-8,10,16-18,22H,1,5,9,11-15,19H2,(H,36,38)/t22-/m1/s1
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| InChIKey |
JZRTZHMQEZPWIC-JOCHJYFZSA-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