General Information of the Compound
| Compound ID |
CP0515254
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| Compound Name |
US9434725, 308
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| Structure |
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| Formula |
C18H16N8
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| Molecular Weight |
344.382
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| Canonical SMILES |
C1NCC1Nc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccccn1
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| InChI |
InChI=1S/C18H16N8/c1-2-4-21-18(3-1)26-16-5-14(22-6-12(16)7-23-26)15-10-20-11-17(25-15)24-13-8-19-9-13/h1-7,10-11,13,19H,8-9H2,(H,24,25)
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| InChIKey |
CHCYABPIGAAURP-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