General Information of the Compound
| Compound ID |
CP0693739
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| Compound Name |
SID87338259
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| Structure |
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
COc1ccc(Nc2nc(N3CCCC3)nc3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C20H22N4O2/c1-25-14-9-10-17(18(13-14)26-2)21-19-15-7-3-4-8-16(15)22-20(23-19)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,21,22,23)
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| InChIKey |
ZIDQHHIURCUZOD-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