General Information of the Compound
| Compound ID |
CP0232874
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| Compound Name |
6-(1,3-dihydrophenanthr[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one
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| Structure |
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| Formula |
C21H14N2O
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| Molecular Weight |
310.356
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| Canonical SMILES |
Oc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21
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| InChI |
InChI=1S/C21H14N2O/c24-18-12-6-5-11-17(18)21-22-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)23-21/h1-12,24H,(H,22,23)
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| InChIKey |
USJRSBYEUBALIV-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: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic