General Information of the Compound
| Compound ID |
CP0315459
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| Compound Name |
1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-6-(4-methylphenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C30H27F2N3O2S
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| Molecular Weight |
531.628
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(CC2(Cc2ccc(F)cc2)C1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H27F2N3O2S/c1-21-2-12-28(13-3-21)38(36,37)34-15-14-24-16-29-23(19-33-35(29)27-10-8-26(32)9-11-27)18-30(24,20-34)17-22-4-6-25(31)7-5-22/h2-13,16,19H,14-15,17-18,20H2,1H3
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| InChIKey |
BDUYECXHJXCGAN-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