General Information of the Compound
| Compound ID |
CP0157173
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| Compound Name |
US9765054, Compound 50i
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| Structure |
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| Formula |
C20H17N3O2
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| Molecular Weight |
331.375
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| Canonical SMILES |
ONC(=O)[C@@H]1[C@@H]([C@H]1c1ccc(cc1)-c1cncnc1)c1ccccc1
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| InChI |
InChI=1S/C20H17N3O2/c24-20(23-25)19-17(14-4-2-1-3-5-14)18(19)15-8-6-13(7-9-15)16-10-21-12-22-11-16/h1-12,17-19,25H,(H,23,24)/t17-,18-,19-/m1/s1
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| InChIKey |
RUTKLVXFAATEKA-GUDVDZBRSA-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