General Information of the Compound
| Compound ID |
CP0419925
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| Compound Name |
US9199981, F12
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| Structure |
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| Formula |
C24H23N5O4
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| Molecular Weight |
445.479
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| Canonical SMILES |
C[C@H]1COC2(CC(C2)c2nc(no2)-c2ccc(C)c(NC(=O)c3cnc4ccccn34)c2)O1
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| InChI |
InChI=1S/C24H23N5O4/c1-14-6-7-16(9-18(14)26-22(30)19-12-25-20-5-3-4-8-29(19)20)21-27-23(33-28-21)17-10-24(11-17)31-13-15(2)32-24/h3-9,12,15,17H,10-11,13H2,1-2H3,(H,26,30)/t15-,17?,24?/m0/s1
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| InChIKey |
BFENDVJZXZZBMZ-LCVZGFTISA-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