General Information of the Compound
| Compound ID |
CP0486332
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| Compound Name |
US9409917, 65
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| Structure |
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| Formula |
C17H16N2O3
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| Molecular Weight |
296.326
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| Canonical SMILES |
O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1COc2ncccc12
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| InChI |
InChI=1S/C17H16N2O3/c20-14-8-10-4-1-2-5-11(10)15(14)19-16(21)13-9-22-17-12(13)6-3-7-18-17/h1-7,13-15,20H,8-9H2,(H,19,21)/t13-,14-,15+/m1/s1
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| InChIKey |
KXJALDIFOMZQBY-KFWWJZLASA-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