General Information of the Compound
| Compound ID |
CP0162458
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| Compound Name |
[(4aR)-1-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenyl]sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]-(1,3-thiazol-2-yl)methanone
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| Structure |
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| Formula |
C27H20F4N4O3S2
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| Molecular Weight |
588.608
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)c1nccs1
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| InChI |
InChI=1S/C27H20F4N4O3S2/c28-20-4-6-21(7-5-20)35-23-13-18-8-10-34(40(37,38)22-3-1-2-19(12-22)27(29,30)31)16-26(18,14-17(23)15-33-35)24(36)25-32-9-11-39-25/h1-7,9,11-13,15H,8,10,14,16H2/t26-/m0/s1
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| InChIKey |
PMNNBWCESVXEDP-SANMLTNESA-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