General Information of the Compound
| Compound ID |
CP0336760
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| Compound Name |
(4aR)-6-(benzenesulfonyl)-1-(4-fluorophenyl)-4a-(methoxymethyl)-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C24H24FN3O3S
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| Molecular Weight |
453.539
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| Canonical SMILES |
COC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H24FN3O3S/c1-31-17-24-14-18-15-26-28(21-9-7-20(25)8-10-21)23(18)13-19(24)11-12-27(16-24)32(29,30)22-5-3-2-4-6-22/h2-10,13,15H,11-12,14,16-17H2,1H3/t24-/m1/s1
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| InChIKey |
IKRBNDCVQKJNNL-XMMPIXPASA-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