General Information of the Compound
| Compound ID |
CP0338278
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| Compound Name |
5,5-dimethyl-2,6-dihydropyrazolo[4,3-d][3]benzazepin-3-one
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| Structure |
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| Formula |
C13H13N3O
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| Molecular Weight |
227.267
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| Canonical SMILES |
CC1(C)Cc2ccccc2C2=NNC(=O)C2=N1
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| InChI |
InChI=1S/C13H13N3O/c1-13(2)7-8-5-3-4-6-9(8)10-11(14-13)12(17)16-15-10/h3-6H,7H2,1-2H3,(H,16,17)
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| InChIKey |
WCONCJOQCAAEKO-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06172, Mothers against decapentaplegic homolog 3