General Information of the Compound
| Compound ID |
CP0527454
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| Compound Name |
US8722896, (-)-(2R)-2-Methyl-3-(indol-7- ylmethylamino)-N-(3,4-dihydro- 2H-1,5-dioxepino-[2,3-b]pyridin- 8-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
CC(C)CN(Cc1cnc2OCCCOc2c1)C(=O)C(C)CNCc1cccc2cc[nH]c12
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| InChI |
InChI=1S/C26H34N4O3/c1-18(2)16-30(17-20-12-23-25(29-14-20)33-11-5-10-32-23)26(31)19(3)13-27-15-22-7-4-6-21-8-9-28-24(21)22/h4,6-9,12,14,18-19,27-28H,5,10-11,13,15-17H2,1-3H3
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| InChIKey |
KYEYCFUQJSHWMW-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
Protein ID: PT00629, Prokineticin receptor 1
Protein ID: PT00615, Prokineticin receptor 2