General Information of the Compound
| Compound ID |
CP0493588
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| Compound Name |
5-Phenyl-4,5-dihydro-pyrazole-1-carboxylic acid (3-chloro-phenyl)-amide
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| Structure |
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| Formula |
C16H14ClN3O
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| Molecular Weight |
299.761
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| Canonical SMILES |
Clc1cccc(NC(=O)N2N=CCC2c2ccccc2)c1
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| InChI |
InChI=1S/C16H14ClN3O/c17-13-7-4-8-14(11-13)19-16(21)20-15(9-10-18-20)12-5-2-1-3-6-12/h1-8,10-11,15H,9H2,(H,19,21)
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| InChIKey |
YFYUTSZMMSKXMW-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: PT06109, Geminin
Protein ID: PT00954, Receptor-interacting serine/threonine-protein kinase 1