General Information of the Compound
| Compound ID |
CP0258826
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| Compound Name |
MLS001209803
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| Structure |
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| Formula |
C18H15N3O4
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| Molecular Weight |
337.335
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| Canonical SMILES |
CC(=O)NC(c1cccc(c1)[N+]([O-])=O)c1ccc2cccnc2c1O
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| InChI |
InChI=1S/C18H15N3O4/c1-11(22)20-16(13-4-2-6-14(10-13)21(24)25)15-8-7-12-5-3-9-19-17(12)18(15)23/h2-10,16,23H,1H3,(H,20,22)
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| InChIKey |
JBYQCHQCGWMKCN-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: PT06101, Latent membrane protein 1