General Information of the Compound
| Compound ID |
CP0510084
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| Compound Name |
ethyl 7-[3-[(3-methylbenzoyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
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| Structure |
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| Formula |
C23H20N4O3
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| Molecular Weight |
400.438
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| Canonical SMILES |
CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(C)c2)c1
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| InChI |
InChI=1S/C23H20N4O3/c1-3-30-23(29)19-14-25-27-20(10-11-24-21(19)27)16-7-5-9-18(13-16)26-22(28)17-8-4-6-15(2)12-17/h4-14H,3H2,1-2H3,(H,26,28)
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| InChIKey |
XFQHIUKTIWAPNS-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