General Information of the Compound
| Compound ID |
CP0482654
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| Compound Name |
[(1S,3R)-3-[[5-(5-fluoro-2-methoxypyridin-4-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 |
C34H37F4N3O2
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| Molecular Weight |
595.681
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| Canonical SMILES |
COc1cc(c(F)cn1)-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/C34H37F4N3O2/c1-20(2)33(32(42)41-13-11-21-4-7-25(34(36,37)38)15-24(21)19-41)12-10-26(17-33)40-30-9-6-22-14-23(5-8-27(22)30)28-16-31(43-3)39-18-29(28)35/h4-5,7-8,14-16,18,20,26,30,40H,6,9-13,17,19H2,1-3H3/t26-,30?,33+/m1/s1
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| InChIKey |
MADSOGIZPZGDBU-PBXWGIMJSA-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