General Information of the Compound
| Compound ID |
CP0415598
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| Compound Name |
CHEMBL4241062
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| Formula |
C15H15N7O2
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| Molecular Weight |
325.332
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C\NNc1nnc(C)c(O)n1)c1ccccc1
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| InChI |
InChI=1S/C15H15N7O2/c1-9-12(8-16-19-15-17-13(23)10(2)18-20-15)14(24)22(21-9)11-6-4-3-5-7-11/h3-8,16H,1-2H3,(H2,17,19,20,23)/b12-8+
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| InChIKey |
QXFKEPHBURJYFT-XYOKQWHBSA-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: PT04868, Lysyl oxidase homolog 2
Protein ID: PT05466, Lysyl oxidase homolog 3
Protein ID: PT05764, Protein-lysine 6-oxidase