General Information of the Compound
| Compound ID |
CP0491297
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| Compound Name |
[(1S,3R)-3-[[5-(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 |
C34H38F3N3O2
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| Molecular Weight |
577.691
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| Canonical SMILES |
COc1cc(ccn1)-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/C34H38F3N3O2/c1-21(2)33(32(41)40-15-12-22-4-7-27(34(35,36)37)17-26(22)20-40)13-10-28(19-33)39-30-9-6-25-16-23(5-8-29(25)30)24-11-14-38-31(18-24)42-3/h4-5,7-8,11,14,16-18,21,28,30,39H,6,9-10,12-13,15,19-20H2,1-3H3/t28-,30?,33+/m1/s1
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| InChIKey |
JMNLEMACSJXEOI-IDGKNORKSA-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