General Information of the Compound
| Compound ID |
CP0525106
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| Compound Name |
US8722896, (+/-)-4-(4-Aminobenzyl)-N-(3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylmorpholine-2- carboxamide
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| Structure |
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| Formula |
C26H35N3O4
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| Molecular Weight |
453.583
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| Canonical SMILES |
CC(C)CN(Cc1ccc2OCCCOc2c1)C(=O)C1CN(Cc2ccc(N)cc2)CCO1
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| InChI |
InChI=1S/C26H35N3O4/c1-19(2)15-29(17-21-6-9-23-24(14-21)32-12-3-11-31-23)26(30)25-18-28(10-13-33-25)16-20-4-7-22(27)8-5-20/h4-9,14,19,25H,3,10-13,15-18,27H2,1-2H3
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| InChIKey |
LIYUVTQUHJXYBT-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