General Information of the Compound
| Compound ID |
CP0412967
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| Compound Name |
N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C25H27N7OS
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| Molecular Weight |
473.606
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CC2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C25H27N7OS/c1-25(2,3)20-14-21(32(30-20)19-9-5-4-6-10-19)27-22(33)16-34-24-29-28-23(31(24)18-11-12-18)17-8-7-13-26-15-17/h4-10,13-15,18H,11-12,16H2,1-3H3,(H,27,33)
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| InChIKey |
JYUOBPGRHGIQFD-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