General Information of the Compound
| Compound ID |
CP0440375
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| Compound Name |
(1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-[(1S,5'R)-5'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
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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 |
C[C@H]1CN(CC[C@]11C=Cc2ccccc12)[C@@H]1CC[C@@H](C1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C29H30F6N2O/c1-18-17-37(11-10-27(18)9-8-20-4-2-3-5-25(20)27)24-7-6-21(14-24)26(38)36-16-19-12-22(28(30,31)32)15-23(13-19)29(33,34)35/h2-5,8-9,12-13,15,18,21,24H,6-7,10-11,14,16-17H2,1H3,(H,36,38)/t18-,21-,24+,27+/m0/s1
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| InChIKey |
MGXIAUQCPAQVBR-VKYMOPELSA-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