General Information of the Compound
| Compound ID |
CP0389430
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| Compound Name |
[(1S,3R)-1-propan-2-yl-3-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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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@@]1(CC[C@H](C1)NC1CCc2cc(ccc12)C(F)(F)F)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F6N2O/c1-17(2)27(26(38)37-12-10-18-3-5-21(28(30,31)32)14-20(18)16-37)11-9-23(15-27)36-25-8-4-19-13-22(29(33,34)35)6-7-24(19)25/h3,5-7,13-14,17,23,25,36H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/m1/s1
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| InChIKey |
AONRERQBBIHFMX-JBGVBMOJSA-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