General Information of the Compound
| Compound ID |
CP0550844
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| Compound Name |
US8722896, (-)-(3R)-1-(Indol-7-ylmethyl)-N- (3,4-dihydro-2H-1,5-dioxepino- [2,3-b]pyridin-8-ylmethyl)-N- isobutylpiperidine-3- carboxamide
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| Structure |
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| Formula |
C28H36N4O3
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| Molecular Weight |
476.621
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| Canonical SMILES |
CC(C)CN(Cc1cnc2OCCCOc2c1)C(=O)C1CCCN(Cc2cccc3cc[nH]c23)C1
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| InChI |
InChI=1S/C28H36N4O3/c1-20(2)16-32(17-21-14-25-27(30-15-21)35-13-5-12-34-25)28(33)24-8-4-11-31(19-24)18-23-7-3-6-22-9-10-29-26(22)23/h3,6-7,9-10,14-15,20,24,29H,4-5,8,11-13,16-19H2,1-2H3
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| InChIKey |
LFAMYRIYDFLZDE-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