General Information of the Compound
| Compound ID |
CP0520552
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| Compound Name |
US8637507, B-4
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| Structure |
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| Formula |
C25H25N3O5
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| Molecular Weight |
447.491
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| Canonical SMILES |
CC(C)(COc1ccc(cn1)-c1ccc2N(CCOc2c1)C(=O)Nc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C25H25N3O5/c1-25(2,23(29)30)16-33-22-11-9-18(15-26-22)17-8-10-20-21(14-17)32-13-12-28(20)24(31)27-19-6-4-3-5-7-19/h3-11,14-15H,12-13,16H2,1-2H3,(H,27,31)(H,29,30)
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| InChIKey |
PDZNRDXATSNWGR-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