General Information of the Compound
| Compound ID |
CP0565930
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| Compound Name |
US8722896, (-)-(3R)-N-(3,4-Dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutyl-1-[(2-methoxypyridin- 3-ylmethyl)pyrrolidine-3- 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 |
COc1ncccc1CN1CC[C@H](C1)C(=O)N(CC(C)C)Cc1ccc2OCCCOc2c1
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| InChI |
InChI=1S/C26H35N3O4/c1-19(2)15-29(16-20-7-8-23-24(14-20)33-13-5-12-32-23)26(30)22-9-11-28(18-22)17-21-6-4-10-27-25(21)31-3/h4,6-8,10,14,19,22H,5,9,11-13,15-18H2,1-3H3/t22-/m1/s1
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| InChIKey |
QPPZPGXPUCEHRR-JOCHJYFZSA-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