General Information of the Compound
| Compound ID |
CP0414186
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| Compound Name |
[(1S,3R)-3-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C35H39F3N2O2
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| Molecular Weight |
576.703
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| Canonical SMILES |
COc1cccc(c1)-c1ccc2C(CCc2c1)N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C35H39F3N2O2/c1-22(2)34(33(41)40-16-14-23-7-10-28(35(36,37)38)18-27(23)21-40)15-13-29(20-34)39-32-12-9-26-17-25(8-11-31(26)32)24-5-4-6-30(19-24)42-3/h4-8,10-11,17-19,22,29,32,39H,9,12-16,20-21H2,1-3H3/t29-,32?,34+/m1/s1
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| InChIKey |
APPSTWKASLEFLV-VJVBZRJBSA-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