General Information of the Compound
| Compound ID |
CP0202667
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| Compound Name |
(4aS)-6-(4-tert-butylphenyl)sulfonyl-1-(4-fluorophenyl)-4a-methyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C27H30FN3O2S
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| Molecular Weight |
479.621
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC2=Cc3c(C[C@]2(C)C1)cnn3-c1ccc(F)cc1
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| InChI |
InChI=1S/C27H30FN3O2S/c1-26(2,3)20-5-11-24(12-6-20)34(32,33)30-14-13-21-15-25-19(16-27(21,4)18-30)17-29-31(25)23-9-7-22(28)8-10-23/h5-12,15,17H,13-14,16,18H2,1-4H3/t27-/m1/s1
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| InChIKey |
OIKFLZJCOASDMC-HHHXNRCGSA-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