General Information of the Compound
| Compound ID |
CP0499191
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| Compound Name |
[(1S,3R)-3-[(5-bromo-3-ethyl-6-methoxy-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 |
C31H38BrF3N2O2
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| Molecular Weight |
607.555
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| Canonical SMILES |
CCC1CC(N[C@@H]2CC[C@](C2)(C(C)C)C(=O)N2CCc3ccc(cc3C2)C(F)(F)F)c2cc(OC)c(Br)cc12
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| InChI |
InChI=1S/C31H38BrF3N2O2/c1-5-19-13-27(25-15-28(39-4)26(32)14-24(19)25)36-23-8-10-30(16-23,18(2)3)29(38)37-11-9-20-6-7-22(31(33,34)35)12-21(20)17-37/h6-7,12,14-15,18-19,23,27,36H,5,8-11,13,16-17H2,1-4H3/t19?,23-,27?,30+/m1/s1
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| InChIKey |
HRFPOOBZYGYGFI-JOBCJAIHSA-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