General Information of the Compound
| Compound ID |
CP0496355
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| Compound Name |
ethyl 7-[3-[(3-cyanobenzoyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
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| Structure |
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| Formula |
C23H17N5O3
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| Molecular Weight |
411.421
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| Canonical SMILES |
CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C23H17N5O3/c1-2-31-23(30)19-14-26-28-20(9-10-25-21(19)28)16-6-4-8-18(12-16)27-22(29)17-7-3-5-15(11-17)13-24/h3-12,14H,2H2,1H3,(H,27,29)
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| InChIKey |
SLLCNVWKVGYCLX-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