General Information of the Compound
| Compound ID |
CP0490112
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| Compound Name |
US8772323, 90
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| Structure |
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| Formula |
C20H17N3O4
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| Molecular Weight |
363.373
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-c1nc2ccc(cc2o1)C1=NNC(=O)CC1C
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| InChI |
InChI=1S/C20H17N3O4/c1-11-9-17(24)22-23-18(11)14-7-8-15-16(10-14)27-19(21-15)12-3-5-13(6-4-12)20(25)26-2/h3-8,10-11H,9H2,1-2H3,(H,22,24)
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| InChIKey |
VRMGOIKUQIUNGI-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