General Information of the Compound
| Compound ID |
CP0484004
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| Compound Name |
US9187424, 166
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| Structure |
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| Formula |
C29H37N3O4
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| Molecular Weight |
491.632
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| Canonical SMILES |
CCCCCCCNC(=O)C1(C)CC(=C(C(=O)Nc2ccc(OC)cc2)C(=O)N1)c1ccc(C)cc1
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| InChI |
InChI=1S/C29H37N3O4/c1-5-6-7-8-9-18-30-28(35)29(3)19-24(21-12-10-20(2)11-13-21)25(27(34)32-29)26(33)31-22-14-16-23(36-4)17-15-22/h10-17H,5-9,18-19H2,1-4H3,(H,30,35)(H,31,33)(H,32,34)
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| InChIKey |
BHNMMEUJNNJUQG-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