General Information of the Compound
| Compound ID |
CP0852867
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| Compound Name |
SID49668724
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| Structure |
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| Formula |
C21H17N3O
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| Molecular Weight |
327.387
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| Canonical SMILES |
Cc1ccc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)cc1
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| InChI |
InChI=1S/C21H17N3O/c1-14-6-8-15(9-7-14)20-23-19-5-3-2-4-18(19)21(24-20)22-16-10-12-17(25)13-11-16/h2-13,25H,1H3,(H,22,23,24)
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| InChIKey |
VIYGZDDBHHYBES-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: PT06172, Mothers against decapentaplegic homolog 3