General Information of the Compound
| Compound ID |
CP0471272
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| Compound Name |
US9434725, 297
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| Structure |
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| Formula |
C17H15N7
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| Molecular Weight |
317.356
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| Canonical SMILES |
CNc1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
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| InChI |
InChI=1S/C17H15N7/c1-11-7-19-10-14(22-11)13-6-15-12(8-20-13)9-21-24(15)17-5-3-4-16(18-2)23-17/h3-10H,1-2H3,(H,18,23)
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| InChIKey |
VYVLVTDHSCQXGE-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