General Information of the Compound
| Compound ID |
CP0129473
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| Compound Name |
US9260440, 2
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| Structure |
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| Formula |
C14H13N3O
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| Molecular Weight |
239.278
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| Canonical SMILES |
O=c1[nH]nc2CCCCc3[nH]c4cccc1c4c23
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| InChI |
InChI=1S/C14H13N3O/c18-14-8-4-3-7-9-12(8)13-10(15-9)5-1-2-6-11(13)16-17-14/h3-4,7,15H,1-2,5-6H2,(H,17,18)
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| InChIKey |
FLCHMGRFSJQORK-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