General Information of the Compound
| Compound ID |
CP0308758
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| Compound Name |
1-[(4aS)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C25H27FN4O2S
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| Molecular Weight |
466.582
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| Canonical SMILES |
CN(C)C[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H27FN4O2S/c1-28(2)17-25-15-19-16-27-30(22-10-8-21(26)9-11-22)24(19)14-20(25)12-13-29(18-25)33(31,32)23-6-4-3-5-7-23/h3-11,14,16H,12-13,15,17-18H2,1-2H3/t25-/m0/s1
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| InChIKey |
HKUNJKBHBDFSIE-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