General Information of the Compound
| Compound ID |
CP0084597
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| Compound Name |
7-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylcarbamoyl)-heptanoic acid methyl ester
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| Structure |
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| Formula |
C22H22ClN5O4
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| Molecular Weight |
455.902
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| Canonical SMILES |
COC(=O)CCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C22H22ClN5O4/c1-31-19(30)9-5-3-2-4-8-18(29)25-22-24-16-11-10-14(23)13-15(16)21-26-20(27-28(21)22)17-7-6-12-32-17/h6-7,10-13H,2-5,8-9H2,1H3,(H,24,25,29)
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| InChIKey |
PQQVRUGQLFKBFD-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