General Information of the Compound
Compound ID |
CP0505201
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Compound Name |
6-bromo-4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol-3-yl]quinoline
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Structure |
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Formula |
C21H17BrN4
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Molecular Weight |
405.299
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Canonical SMILES |
Cc1cccc(n1)-c1nn2CCCc2c1-c1ccnc2ccc(Br)cc12
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InChI |
InChI=1S/C21H17BrN4/c1-13-4-2-5-18(24-13)21-20(19-6-3-11-26(19)25-21)15-9-10-23-17-8-7-14(22)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3
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InChIKey |
BJBCSMYAHPXGJA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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