General Information of the Compound
| Compound ID |
CP0478180
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| Compound Name |
[(1S,3R)-3-[[5-(5-ethoxypyridin-3-yl)-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 |
C35H40F3N3O2
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| Molecular Weight |
591.718
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| Canonical SMILES |
CCOc1cncc(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/C35H40F3N3O2/c1-4-43-30-17-26(19-39-20-30)24-6-9-31-25(15-24)7-10-32(31)40-29-11-13-34(18-29,22(2)3)33(42)41-14-12-23-5-8-28(35(36,37)38)16-27(23)21-41/h5-6,8-9,15-17,19-20,22,29,32,40H,4,7,10-14,18,21H2,1-3H3/t29-,32?,34+/m1/s1
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| InChIKey |
IVOYYBFJNXIZQL-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