General Information of the Compound
| Compound ID |
CP0443676
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| Compound Name |
US8629158, 42
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| Structure |
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| Formula |
C26H26N4O2
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| Molecular Weight |
426.52
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| Canonical SMILES |
CN1C2CCC1c1c(C2)n(C)c2nc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H26N4O2/c1-28-18-8-10-21(28)25-20-9-11-23(27-26(20)29(2)22(25)14-18)30-13-12-19(15-24(30)31)32-16-17-6-4-3-5-7-17/h3-7,9,11-13,15,18,21H,8,10,14,16H2,1-2H3
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| InChIKey |
MOSVKKKFWWALMP-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