General Information of the Compound
| Compound ID |
CP0504998
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| Compound Name |
(4aS)-1-(4-fluorophenyl)-4a-methyl-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C24H21F4N3O2S
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| Molecular Weight |
491.51
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| Canonical SMILES |
C[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H21F4N3O2S/c1-23-13-16-14-29-31(20-6-4-19(25)5-7-20)22(16)12-18(23)10-11-30(15-23)34(32,33)21-8-2-17(3-9-21)24(26,27)28/h2-9,12,14H,10-11,13,15H2,1H3/t23-/m1/s1
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| InChIKey |
XOLXAYPVGNVIAI-HSZRJFAPSA-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