General Information of the Compound
| Compound ID |
CP0437265
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| Compound Name |
[(4aR)-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-pyridin-2-ylmethanone
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| Structure |
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| Formula |
C26H23FN6O3S
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| Molecular Weight |
518.574
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H23FN6O3S/c1-31-16-22(15-29-31)37(35,36)32-11-9-19-12-24-18(14-30-33(24)21-7-5-20(27)6-8-21)13-26(19,17-32)25(34)23-4-2-3-10-28-23/h2-8,10,12,14-16H,9,11,13,17H2,1H3/t26-/m0/s1
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| InChIKey |
OVFNJOOCMRIBEK-SANMLTNESA-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