General Information of the Compound
| Compound ID |
CP0173000
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| Compound Name |
US9765054, Compound 58
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| Structure |
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| Formula |
C19H16N2O3
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| Molecular Weight |
320.348
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| Canonical SMILES |
ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1ncco1)c1ccccc1
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| InChI |
InChI=1S/C19H16N2O3/c22-18(21-23)17-15(12-4-2-1-3-5-12)16(17)13-6-8-14(9-7-13)19-20-10-11-24-19/h1-11,15-17,23H,(H,21,22)/t15-,16-,17-/m1/s1
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| InChIKey |
MGJSXLNXMNGWKC-BRWVUGGUSA-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