General Information of the Compound
| Compound ID |
CP0501942
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| Compound Name |
1-[(4aS)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C25H26F2N4O2S
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| Molecular Weight |
484.572
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| Canonical SMILES |
CN(C)C[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H26F2N4O2S/c1-29(2)16-25-14-18-15-28-31(22-7-3-20(26)4-8-22)24(18)13-19(25)11-12-30(17-25)34(32,33)23-9-5-21(27)6-10-23/h3-10,13,15H,11-12,14,16-17H2,1-2H3/t25-/m0/s1
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| InChIKey |
IUXAJJWCPLUGKF-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