General Information of the Compound
| Compound ID |
CP0556465
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| Compound Name |
US8933079, 1.13
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| Structure |
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| Formula |
C27H30N2O4
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| Molecular Weight |
446.547
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| Canonical SMILES |
Cc1cc(CN2CCC[C@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C27H30N2O4/c1-20-14-22(16-28-12-5-8-23(30)17-28)9-10-25(20)26(31)18-29-13-11-24(15-27(29)32)33-19-21-6-3-2-4-7-21/h2-4,6-7,9-11,13-15,23,30H,5,8,12,16-19H2,1H3/t23-/m0/s1
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| InChIKey |
MFGKZARMWPDUGR-QHCPKHFHSA-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