General Information of the Compound
| Compound ID |
CP0500119
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| Compound Name |
US8637501, 54
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| Structure |
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| Formula |
C26H25N3O3
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| Molecular Weight |
427.504
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| Canonical SMILES |
CC(=O)N1CCc2[nH]c3cc(ccc3c2CC1)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H25N3O3/c1-18(30)28-12-10-23-22-8-7-20(15-25(22)27-24(23)11-13-28)29-14-9-21(16-26(29)31)32-17-19-5-3-2-4-6-19/h2-9,14-16,27H,10-13,17H2,1H3
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| InChIKey |
YWONHCPQBDINBP-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