General Information of the Compound
| Compound ID |
CP0438242
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| Compound Name |
US8664236, A29
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| Structure |
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| Formula |
C24H23ClN8O
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| Molecular Weight |
474.956
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| Canonical SMILES |
COCCN(c1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1cnn(C)c1)c1ccccc1Cl
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| InChI |
InChI=1S/C24H23ClN8O/c1-32-14-16(12-29-32)15-9-17-18(13-28-23(17)27-11-15)20-10-22(31-24(26)30-20)33(7-8-34-2)21-6-4-3-5-19(21)25/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H2,26,30,31)
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| InChIKey |
VIHXJKNRKAYBTE-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