General Information of the Compound
| Compound ID |
CP0325023
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| Compound Name |
US8664236, A43
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| Structure |
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| Formula |
C26H27N9O
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| Molecular Weight |
481.564
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| Canonical SMILES |
CC(=O)NCCCN(c1ccccc1)c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C26H27N9O/c1-17(36)28-9-6-10-35(20-7-4-3-5-8-20)24-12-23(32-26(27)33-24)22-15-30-25-21(22)11-18(13-29-25)19-14-31-34(2)16-19/h3-5,7-8,11-16H,6,9-10H2,1-2H3,(H,28,36)(H,29,30)(H2,27,32,33)
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| InChIKey |
ZCXSQDZQGBBFLV-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