General Information of the Compound
| Compound ID |
CP0390911
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| Compound Name |
(2S)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-(cyclopropylmethyl)-4-[(1R,5'R)-5'-methylspiro[indene-1,4'-piperidine]-1'-yl]butanamide
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| Structure |
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| Formula |
C31H34F6N2O
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| Molecular Weight |
564.614
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| Canonical SMILES |
C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CC[C@@]11C=Cc2ccccc12
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| InChI |
InChI=1S/C31H34F6N2O/c1-20-19-39(13-11-29(20)10-8-23-4-2-3-5-27(23)29)12-9-24(14-21-6-7-21)28(40)38-18-22-15-25(30(32,33)34)17-26(16-22)31(35,36)37/h2-5,8,10,15-17,20-21,24H,6-7,9,11-14,18-19H2,1H3,(H,38,40)/t20-,24+,29-/m0/s1
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| InChIKey |
STSDXEDJWCUXPS-LASKTHCNSA-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