General Information of the Compound
| Compound ID |
CP0561239
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| Compound Name |
US9428456, 1.047
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| Structure |
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| Formula |
C28H37N3O3
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| Molecular Weight |
463.622
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| Canonical SMILES |
COc1cccc(CC(=O)Nc2cccc(CN3CCC(CC3)C(=O)NC3CCCCC3)c2)c1
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| InChI |
InChI=1S/C28H37N3O3/c1-34-26-12-6-7-21(18-26)19-27(32)29-25-11-5-8-22(17-25)20-31-15-13-23(14-16-31)28(33)30-24-9-3-2-4-10-24/h5-8,11-12,17-18,23-24H,2-4,9-10,13-16,19-20H2,1H3,(H,29,32)(H,30,33)
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| InChIKey |
OAENTWNJBDZOPO-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