General Information of the Compound
| Compound ID |
CP0321355
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| Compound Name |
[(4aR)-1-(4-fluorophenyl)-6-(4-fluorophenyl)sulfonyl-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-4a-yl]methanol
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| Structure |
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| Formula |
C23H21F2N3O3S
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| Molecular Weight |
457.502
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| Canonical SMILES |
OC[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H21F2N3O3S/c24-18-1-5-20(6-2-18)28-22-11-17-9-10-27(14-23(17,15-29)12-16(22)13-26-28)32(30,31)21-7-3-19(25)4-8-21/h1-8,11,13,29H,9-10,12,14-15H2/t23-/m1/s1
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| InChIKey |
ZSOYCCGDQFNMCS-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