General Information of the Compound
| Compound ID |
CP0343750
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| Compound Name |
[(4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(3,3,3-trifluoropropyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] sulfamate
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| Structure |
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| Formula |
C21H25F3N2O5S
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| Molecular Weight |
474.501
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(N)(=O)=O)ccc34)[C@@H]1CC(=O)N(CCC(F)(F)F)C2=O
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| InChI |
InChI=1S/C21H25F3N2O5S/c1-20-7-6-15-14-5-3-13(31-32(25,29)30)10-12(14)2-4-16(15)17(20)11-18(27)26(19(20)28)9-8-21(22,23)24/h3,5,10,15-17H,2,4,6-9,11H2,1H3,(H2,25,29,30)/t15-,16-,17+,20+/m1/s1
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| InChIKey |
PZLZSJOMODRVQS-WWNBULGVSA-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