General Information of the Compound
| Compound ID |
CP0577885
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| Compound Name |
US9428456, 1.167
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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(cc1)C(=O)Nc1cccc(c1)C(C)N1CCC(CC1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C28H37N3O3/c1-20(31-17-15-22(16-18-31)28(33)29-24-8-4-3-5-9-24)23-7-6-10-25(19-23)30-27(32)21-11-13-26(34-2)14-12-21/h6-7,10-14,19-20,22,24H,3-5,8-9,15-18H2,1-2H3,(H,29,33)(H,30,32)
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| InChIKey |
YMWKAPXXXGSQTJ-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