General Information of the Compound
Compound ID |
CP0536806
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Compound Name |
4-({4-[2-(pyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-a]pyrazol-3-yl]quinolin-7-yl}oxy)benzonitrile
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Structure |
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Formula |
C27H19N5O
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Molecular Weight |
429.483
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Canonical SMILES |
N#Cc1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1
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InChI |
InChI=1S/C27H19N5O/c28-17-18-6-8-19(9-7-18)33-20-10-11-21-22(12-14-30-24(21)16-20)26-25-5-3-15-32(25)31-27(26)23-4-1-2-13-29-23/h1-2,4,6-14,16H,3,5,15H2
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InChIKey |
PPXCEILRLLPYFZ-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