General Information of the Compound
| Compound ID |
CP0529896
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| Compound Name |
4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol-3-yl]-6-(trifluoromethoxy)quinoline
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| Structure |
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| Formula |
C22H17F3N4O
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| Molecular Weight |
410.399
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| Canonical SMILES |
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(OC(F)(F)F)cc12
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| InChI |
InChI=1S/C22H17F3N4O/c1-13-4-2-5-18(27-13)21-20(19-6-3-11-29(19)28-21)15-9-10-26-17-8-7-14(12-16(15)17)30-22(23,24)25/h2,4-5,7-10,12H,3,6,11H2,1H3
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| InChIKey |
SRIWDROQQPUKBC-UHFFFAOYSA-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