General Information of the Compound
| Compound ID |
CP0441458
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| Compound Name |
US8722896, (-)-(2R)-2-Methyl-3-((2,4,5- trifluoro)benzylamino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C25H30ClF3N2O3
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| Molecular Weight |
498.973
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1cc(F)c(F)cc1F
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| InChI |
InChI=1S/C25H30ClF3N2O3/c1-15(2)13-31(14-17-7-19(26)24-23(8-17)33-5-4-6-34-24)25(32)16(3)11-30-12-18-9-21(28)22(29)10-20(18)27/h7-10,15-16,30H,4-6,11-14H2,1-3H3
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| InChIKey |
SYVUHNKRLKDWTJ-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