General Information of the Compound
| Compound ID |
CP0311296
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| Compound Name |
3-[[(4aR)-1-(4-fluorophenyl)-4a-[4-(trifluoromethyl)pyridine-2-carbonyl]-4,5,7,8-tetrahydropyrazolo[3,4-g]isoquinolin-6-yl]sulfonyl]benzonitrile
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| Structure |
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| Formula |
C30H21F4N5O3S
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| Molecular Weight |
607.589
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| Canonical SMILES |
Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C30H21F4N5O3S/c31-23-4-6-24(7-5-23)39-27-14-21-9-11-38(43(41,42)25-3-1-2-19(12-25)16-35)18-29(21,15-20(27)17-37-39)28(40)26-13-22(8-10-36-26)30(32,33)34/h1-8,10,12-14,17H,9,11,15,18H2/t29-/m0/s1
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| InChIKey |
QFKOGTHTOSEUEO-LJAQVGFWSA-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