General Information of the Compound
| Compound ID |
CP0007525
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| Compound Name |
MLS001146578
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| Structure |
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| Formula |
C17H13N3O7
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| Molecular Weight |
371.305
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(o2)[N+]([O-])=O)ccc1NC(=O)c1ccco1
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| InChI |
InChI=1S/C17H13N3O7/c1-25-14-9-10(18-17(22)13-6-7-15(27-13)20(23)24)4-5-11(14)19-16(21)12-3-2-8-26-12/h2-9H,1H3,(H,18,22)(H,19,21)
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| InChIKey |
QNXCRUYYNUOSRR-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: PT06124, Paired box protein Pax-8