General Information of the Compound
| Compound ID |
CP0481222
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| Compound Name |
[(1S,3R)-3-[(4-hydroxy-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 |
C28H33F3N2O2
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| Molecular Weight |
486.578
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2O)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C28H33F3N2O2/c1-17(2)27(12-10-21(15-27)32-24-9-8-23-22(24)4-3-5-25(23)34)26(35)33-13-11-18-6-7-20(28(29,30)31)14-19(18)16-33/h3-7,14,17,21,24,32,34H,8-13,15-16H2,1-2H3/t21-,24?,27+/m1/s1
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| InChIKey |
MLNQRUMNJMWQLR-XIAQZKNVSA-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