General Information of the Compound
| Compound ID |
CP0488614
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| Compound Name |
US9434725, 296
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| Structure |
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| Formula |
C18H17N7
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| Molecular Weight |
331.383
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| Canonical SMILES |
CN(C)c1cccc(n1)-n1ncc2cnc(cc12)-c1cncc(C)n1
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| InChI |
InChI=1S/C18H17N7/c1-12-8-19-11-15(22-12)14-7-16-13(9-20-14)10-21-25(16)18-6-4-5-17(23-18)24(2)3/h4-11H,1-3H3
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| InChIKey |
XIIRJPVKFJFUHB-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