General Information of the Compound
| Compound ID |
CP0759245
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| Compound Name |
SID26662734
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| Structure |
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| Formula |
C11H8ClN3O4
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| Molecular Weight |
281.655
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| Canonical SMILES |
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)no1
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| InChI |
InChI=1S/C11H8ClN3O4/c1-6-4-10(14-19-6)13-11(16)8-5-7(15(17)18)2-3-9(8)12/h2-5H,1H3,(H,13,14,16)
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| InChIKey |
DNMZREGGPLYTCI-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: PT06417, Acyl-homoserine lactone acylase PvdQ
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic