General Information of the Compound
| Compound ID |
CP0484942
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| Compound Name |
US8772323, 31
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| Structure |
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| Formula |
C19H17N3O2
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| Molecular Weight |
319.364
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| Canonical SMILES |
CC[C@@H]1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccccc1
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| InChI |
InChI=1S/C19H17N3O2/c1-2-12-11-17(23)21-22-18(12)14-8-9-15-16(10-14)24-19(20-15)13-6-4-3-5-7-13/h3-10,12H,2,11H2,1H3,(H,21,23)/t12-/m1/s1
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| InChIKey |
CIKXVUUQVXSNHP-GFCCVEGCSA-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