General Information of the Compound
| Compound ID |
CP0546814
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| Compound Name |
US8791272, 2.12
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| Structure |
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| Formula |
C30H25N3O3
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| Molecular Weight |
475.548
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1)-c1ccccc1
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| InChI |
InChI=1S/C30H25N3O3/c1-20-27(18-28(34)35)29(23-8-3-2-4-9-23)32-33(20)19-21-11-15-26(16-12-21)31-30(36)25-14-13-22-7-5-6-10-24(22)17-25/h2-17H,18-19H2,1H3,(H,31,36)(H,34,35)
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| InChIKey |
CBRPSGTWEQFPDZ-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