General Information of the Compound
| Compound ID |
CP0396339
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| Compound Name |
[(4aR,8aS)-1-(4-fluorophenyl)-6-(1-methylpyrazol-3-yl)sulfonyl-4,5,7,8,8a,9-hexahydropyrazolo[3,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)pyridin-2-yl]methanone
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| Structure |
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| Formula |
C27H24F4N6O3S
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| Molecular Weight |
588.587
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| Canonical SMILES |
Cn1ccc(n1)S(=O)(=O)N1CC[C@H]2Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H24F4N6O3S/c1-35-10-8-24(34-35)41(39,40)36-11-7-18-13-23-17(15-33-37(23)21-4-2-20(28)3-5-21)14-26(18,16-36)25(38)22-12-19(6-9-32-22)27(29,30)31/h2-6,8-10,12,15,18H,7,11,13-14,16H2,1H3/t18-,26-/m0/s1
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| InChIKey |
VPIMCGUXQFMNAI-QYBDOPJKSA-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