General Information of the Compound
| Compound ID |
CP0712544
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| Compound Name |
SID26671321
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| Structure |
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| Formula |
C16H12N4O2
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| Molecular Weight |
292.298
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| Canonical SMILES |
O=C(O)c1ccc(N/N=C/c2ccc3nccnc3c2)cc1
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| InChI |
InChI=1S/C16H12N4O2/c21-16(22)12-2-4-13(5-3-12)20-19-10-11-1-6-14-15(9-11)18-8-7-17-14/h1-10,20H,(H,21,22)/b19-10+
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| InChIKey |
YARNNPMHKWLMOC-VXLYETTFSA-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: PT06124, Paired box protein Pax-8