General Information of the Compound
| Compound ID |
CP0445089
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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)benzoic acid
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| Structure |
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| Formula |
C27H20N4O3
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| Molecular Weight |
448.482
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| Canonical SMILES |
OC(=O)c1ccc(Oc2ccc3c(ccnc3c2)-c2c3CCCn3nc2-c2ccccn2)cc1
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| InChI |
InChI=1S/C27H20N4O3/c32-27(33)17-6-8-18(9-7-17)34-19-10-11-20-21(12-14-29-23(20)16-19)25-24-5-3-15-31(24)30-26(25)22-4-1-2-13-28-22/h1-2,4,6-14,16H,3,5,15H2,(H,32,33)
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| InChIKey |
FZETVVQTGAVAAE-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