General Information of the Compound
| Compound ID |
CP0339419
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| Compound Name |
4-[4-[[1-(4-fluorophenyl)-4a-[(4-fluorophenyl)methyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-6-yl]sulfonyl]phenyl]morpholine
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| Structure |
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| Formula |
C33H32F2N4O3S
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| Molecular Weight |
602.707
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| Canonical SMILES |
Fc1ccc(CC23CN(CCC2=Cc2c(C3)cnn2-c2ccc(F)cc2)S(=O)(=O)c2ccc(cc2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C33H32F2N4O3S/c34-27-3-1-24(2-4-27)20-33-21-25-22-36-39(30-7-5-28(35)6-8-30)32(25)19-26(33)13-14-38(23-33)43(40,41)31-11-9-29(10-12-31)37-15-17-42-18-16-37/h1-12,19,22H,13-18,20-21,23H2
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| InChIKey |
KUBBKRKMJZXCDL-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