General Information of the Compound
| Compound ID |
CP0538168
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| Compound Name |
US9586948, Example 47
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| Structure |
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| Formula |
C25H25N9O2
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| Molecular Weight |
483.536
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| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCc1ccncn1
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| InChI |
InChI=1S/C25H25N9O2/c1-34-14-21(23(33-34)25(36)29-13-18-8-9-26-15-30-18)32-24(35)20-4-2-3-19(31-20)17-7-10-27-22(11-17)28-12-16-5-6-16/h2-4,7-11,14-16H,5-6,12-13H2,1H3,(H,27,28)(H,29,36)(H,32,35)
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| InChIKey |
QBYCPELIAINIHL-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