General Information of the Compound
| Compound ID |
CP0321361
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| Compound Name |
6-benzyl-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 |
C30H27F2N3
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| Molecular Weight |
467.563
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| Canonical SMILES |
Fc1ccc(CC23CN(Cc4ccccc4)CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C30H27F2N3/c31-26-8-6-22(7-9-26)17-30-18-24-19-33-35(28-12-10-27(32)11-13-28)29(24)16-25(30)14-15-34(21-30)20-23-4-2-1-3-5-23/h1-13,16,19H,14-15,17-18,20-21H2
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| InChIKey |
WFSIGTBJUNJKRG-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