General Information of the Compound
| Compound ID |
CP0232414
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| Compound Name |
Butyric acid N',N'-dimethyl-N-(2,2,3,3-tetracyano-4-methyl-cyclopentyl)-hydrazide
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| Structure |
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| Formula |
C16H20N6O
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| Molecular Weight |
312.377
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| Canonical SMILES |
CCCC(=O)N(C1CC(C)C(C#N)(C#N)C1(C#N)C#N)N(C)C
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| InChI |
InChI=1S/C16H20N6O/c1-5-6-14(23)22(21(3)4)13-7-12(2)15(8-17,9-18)16(13,10-19)11-20/h12-13H,5-7H2,1-4H3
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| InChIKey |
QCESUACIVCNKOD-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01214, Tyrosine-protein kinase JAK2