General Information of the Compound
| Compound ID |
CP0512289
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| Compound Name |
US9428456, 1.122
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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 |
COc1ccc(cc1C)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C28H37N3O3/c1-20-17-23(11-12-26(20)34-2)28(33)30-25-10-6-7-21(18-25)19-31-15-13-22(14-16-31)27(32)29-24-8-4-3-5-9-24/h6-7,10-12,17-18,22,24H,3-5,8-9,13-16,19H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
XGSAGQIGZGXBCA-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