General Information of the Compound
| Compound ID |
CP0536480
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| Compound Name |
US9586948, Example 50
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| Structure |
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| Formula |
C25H27N9O2
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| Molecular Weight |
485.552
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| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
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| InChI |
InChI=1S/C25H27N9O2/c1-33-16-21(23(32-33)25(36)27-11-13-34-12-3-9-29-34)31-24(35)20-5-2-4-19(30-20)18-8-10-26-22(14-18)28-15-17-6-7-17/h2-5,8-10,12,14,16-17H,6-7,11,13,15H2,1H3,(H,26,28)(H,27,36)(H,31,35)
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| InChIKey |
YRADKWQDVHKXFM-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