General Information of the Compound
| Compound ID |
CP0920885
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| Compound Name |
rac-N-(5-(5-(2-hydroxyphenyl)-1-(5-(pyridin-2-yl)thiophene-2-carbonyl)-4,5-dihydro-1H-pyrazol-3-yl)pyridin-3-yl)acetamide
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| Structure |
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| Formula |
C26H21N5O3S
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| Molecular Weight |
483.553
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| Canonical SMILES |
CC(=O)Nc1cncc(C2=NN(C(=O)c3ccc(-c4ccccn4)s3)C(c3ccccc3O)C2)c1
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| InChI |
InChI=1S/C26H21N5O3S/c1-16(32)29-18-12-17(14-27-15-18)21-13-22(19-6-2-3-8-23(19)33)31(30-21)26(34)25-10-9-24(35-25)20-7-4-5-11-28-20/h2-12,14-15,22,33H,13H2,1H3,(H,29,32)
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| InChIKey |
CBMCUHUKYJZZJE-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