General Information of the Compound
| Compound ID |
CP0791790
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| Compound Name |
SID3714949
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| Structure |
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| Formula |
C18H15N5O
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| Molecular Weight |
317.352
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| Canonical SMILES |
Cc1cc(Nc2nc3ccccc3nc2O)n(-c2ccccc2)n1
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| InChI |
InChI=1S/C18H15N5O/c1-12-11-16(23(22-12)13-7-3-2-4-8-13)21-17-18(24)20-15-10-6-5-9-14(15)19-17/h2-11H,1H3,(H,19,21)(H,20,24)
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| InChIKey |
NRWADAPEQHAWLP-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