General Information of the Compound
| Compound ID |
CP0879388
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| Compound Name |
SID26730101
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| Structure |
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| Formula |
C18H17NO6
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| Molecular Weight |
343.335
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| Canonical SMILES |
COc1cc(C2Oc3ccccc3C=C2[N+](=O)[O-])cc(OC)c1OC
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| InChI |
InChI=1S/C18H17NO6/c1-22-15-9-12(10-16(23-2)18(15)24-3)17-13(19(20)21)8-11-6-4-5-7-14(11)25-17/h4-10,17H,1-3H3
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| InChIKey |
JUGUCDBIOOLMTO-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