General Information of the Compound
| Compound ID |
CP0547607
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| Compound Name |
US8772323, 38
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| Structure |
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| Formula |
C18H15N3O3
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| Molecular Weight |
321.336
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| Canonical SMILES |
CC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1cccc(O)c1
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| InChI |
InChI=1S/C18H15N3O3/c1-10-7-16(23)20-21-17(10)11-5-6-14-15(9-11)24-18(19-14)12-3-2-4-13(22)8-12/h2-6,8-10,22H,7H2,1H3,(H,20,23)
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| InChIKey |
CXOFHZRZCGGIFR-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