General Information of the Compound
| Compound ID |
CP0472415
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| Compound Name |
US8722896, (+/-)-N-(3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutyl-3-amino-4- phenylbutanamide
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| Structure |
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| Formula |
C24H32N2O3
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| Molecular Weight |
396.531
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| Canonical SMILES |
CC(C)CN(Cc1ccc2OCCCOc2c1)C(=O)CC(N)Cc1ccccc1
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| InChI |
InChI=1S/C24H32N2O3/c1-18(2)16-26(24(27)15-21(25)13-19-7-4-3-5-8-19)17-20-9-10-22-23(14-20)29-12-6-11-28-22/h3-5,7-10,14,18,21H,6,11-13,15-17,25H2,1-2H3
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| InChIKey |
DUYAZZZWDWNMNG-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