General Information of the Compound
| Compound ID |
CP0541832
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| Compound Name |
US8618299, 20
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
Cc1ccc(COc2ccn(-c3ccc4c5C6CCCN6CCc5n(C)c4c3)c(=O)c2)cn1
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| InChI |
InChI=1S/C27H28N4O2/c1-18-5-6-19(16-28-18)17-33-21-9-13-31(26(32)15-21)20-7-8-22-25(14-20)29(2)23-10-12-30-11-3-4-24(30)27(22)23/h5-9,13-16,24H,3-4,10-12,17H2,1-2H3
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| InChIKey |
XGYFUMNQUJJIGM-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