General Information of the Compound
| Compound ID |
CP0411941
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| Compound Name |
US8722896, (+/-)-N-(3,4-Dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutyl-3- (phenylamino)cyclopentane- carboxamide
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| Structure |
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| Formula |
C26H34N2O3
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| Molecular Weight |
422.569
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| Canonical SMILES |
CC(C)CN(Cc1ccc2OCCCOc2c1)C(=O)C1CCC(C1)Nc1ccccc1
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| InChI |
InChI=1S/C26H34N2O3/c1-19(2)17-28(18-20-9-12-24-25(15-20)31-14-6-13-30-24)26(29)21-10-11-23(16-21)27-22-7-4-3-5-8-22/h3-5,7-9,12,15,19,21,23,27H,6,10-11,13-14,16-18H2,1-2H3
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| InChIKey |
TVTVNRYRJNAIKK-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