General Information of the Compound
| Compound ID |
CP0476129
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| Compound Name |
[(4aR)-1-(4-fluorophenyl)-6-(1H-pyrazol-4-ylsulfonyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-[4-(trifluoromethyl)pyridin-2-yl]methanone
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| Structure |
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| Formula |
C26H20F4N6O3S
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| Molecular Weight |
572.544
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cn[nH]c1)C(=O)c1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C26H20F4N6O3S/c27-19-1-3-20(4-2-19)36-23-10-17-6-8-35(40(38,39)21-13-32-33-14-21)15-25(17,11-16(23)12-34-36)24(37)22-9-18(5-7-31-22)26(28,29)30/h1-5,7,9-10,12-14H,6,8,11,15H2,(H,32,33)/t25-/m0/s1
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| InChIKey |
NMMUKQWXONYEDV-VWLOTQADSA-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