General Information of the Compound
| Compound ID |
CP0484944
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| Compound Name |
US8772323, 89
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| Structure |
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| Formula |
C18H14ClN3O2
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| Molecular Weight |
339.782
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1Cl
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| InChI |
InChI=1S/C18H14ClN3O2/c1-10-8-16(23)21-22-17(10)11-6-7-14-15(9-11)24-18(20-14)12-4-2-3-5-13(12)19/h2-7,9-10H,8H2,1H3,(H,21,23)
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| InChIKey |
AVOXCXYJRMKHIM-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