General Information of the Compound
| Compound ID |
CP0339420
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| Compound Name |
6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C33H33F2N3O2S
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| Molecular Weight |
573.709
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(CC2(Cc2ccc(F)cc2)C1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C33H33F2N3O2S/c1-32(2,3)25-6-14-30(15-7-25)41(39,40)37-17-16-26-18-31-24(21-36-38(31)29-12-10-28(35)11-13-29)20-33(26,22-37)19-23-4-8-27(34)9-5-23/h4-15,18,21H,16-17,19-20,22H2,1-3H3
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| InChIKey |
UFCDLSDNOGFCJL-UHFFFAOYSA-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