General Information of the Compound
| Compound ID |
CP0140787
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| Compound Name |
(4aR)-1-(4-fluorophenyl)-4a-(propoxymethyl)-6-[4-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinoline
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| Structure |
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| Formula |
C27H27F4N3O3S
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| Molecular Weight |
549.59
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| Canonical SMILES |
CCCOC[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/C27H27F4N3O3S/c1-2-13-37-18-26-15-19-16-32-34(23-7-5-22(28)6-8-23)25(19)14-21(26)11-12-33(17-26)38(35,36)24-9-3-20(4-10-24)27(29,30)31/h3-10,14,16H,2,11-13,15,17-18H2,1H3/t26-/m1/s1
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| InChIKey |
QAFAJQWSDBZGNB-AREMUKBSSA-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