General Information of the Compound
| Compound ID |
CP0301216
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| Compound Name |
US9505765, 201
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| Structure |
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| Formula |
C17H15N3O3
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| Molecular Weight |
309.325
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| Canonical SMILES |
COC(=O)\C=C\c1c[nH]c2ncnc(OCc3ccccc3)c12
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| InChI |
InChI=1S/C17H15N3O3/c1-22-14(21)8-7-13-9-18-16-15(13)17(20-11-19-16)23-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,19,20)/b8-7+
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| InChIKey |
DSQSRIOQMWVLNQ-BQYQJAHWSA-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