General Information of the Compound
| Compound ID |
CP0559599
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| Compound Name |
[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-cyanobenzoate
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| Structure |
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| Formula |
C23H22N4O3
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| Molecular Weight |
402.454
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc(cc2)C#N)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C23H22N4O3/c1-23(2,3)19-13-20(27(26-19)18-7-5-4-6-8-18)25-21(28)15-30-22(29)17-11-9-16(14-24)10-12-17/h4-13H,15H2,1-3H3,(H,25,28)
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| InChIKey |
XJHRQMCDAPTPJV-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
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor