General Information of the Compound
| Compound ID |
CP0489214
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| Compound Name |
[(1S,3R)-3-[(4-methyl-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 |
C29H35F3N2O
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| Molecular Weight |
484.606
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCc2c1cccc2C)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C29H35F3N2O/c1-18(2)28(13-11-23(16-28)33-26-10-9-24-19(3)5-4-6-25(24)26)27(35)34-14-12-20-7-8-22(29(30,31)32)15-21(20)17-34/h4-8,15,18,23,26,33H,9-14,16-17H2,1-3H3/t23-,26?,28+/m1/s1
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| InChIKey |
HKLUAHZYOIXROA-ZRNCVZAUSA-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