General Information of the Compound
| Compound ID |
CP0429220
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| Compound Name |
US10214536, Compound 38
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| Structure |
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| Formula |
C19H17N3O5
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| Molecular Weight |
367.361
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| Canonical SMILES |
Nc1nc2oc3ccc(cc3c(=O)c2cc1C(O)=O)C1CCN(CC1)C=O
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| InChI |
InChI=1S/C19H17N3O5/c20-17-14(19(25)26)8-13-16(24)12-7-11(1-2-15(12)27-18(13)21-17)10-3-5-22(9-23)6-4-10/h1-2,7-10H,3-6H2,(H2,20,21)(H,25,26)
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| InChIKey |
XPNDRKFLBNNMJB-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: PT01072, Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Protein ID: PT01682, Serine/threonine-protein kinase TBK1