General Information of the Compound
| Compound ID |
CP0547606
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| Compound Name |
US8772323, 5
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| Structure |
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| Formula |
C18H13N3O2
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| Molecular Weight |
303.321
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| Canonical SMILES |
O=C1NN=C(C2CC12)c1ccc2nc(oc2c1)-c1ccccc1
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| InChI |
InChI=1S/C18H13N3O2/c22-17-13-9-12(13)16(20-21-17)11-6-7-14-15(8-11)23-18(19-14)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,21,22)
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| InChIKey |
ZESFDYAOVCZMFJ-UHFFFAOYSA-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