General Information of the Compound
| Compound ID |
CP0379996
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| Compound Name |
US8772304, 4
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| Structure |
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| Formula |
C25H25N9
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| Molecular Weight |
451.538
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| Canonical SMILES |
CC(C)(C)n1c(nc2cc(ccc12)-c1cnc(N)nc1)-c1nc(ccc1-n1cncn1)C1CC1
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| InChI |
InChI=1S/C25H25N9/c1-25(2,3)34-20-8-6-16(17-11-28-24(26)29-12-17)10-19(20)32-23(34)22-21(33-14-27-13-30-33)9-7-18(31-22)15-4-5-15/h6-15H,4-5H2,1-3H3,(H2,26,28,29)
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| InChIKey |
NEGPZUDOKOYGIZ-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