General Information of the Compound
| Compound ID |
CP0403040
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-((3- amino-4-fluoro)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 |
C25H33ClFN3O3
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| Molecular Weight |
478.008
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1ccc(F)c(N)c1
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| InChI |
InChI=1S/C25H33ClFN3O3/c1-16(2)14-30(15-19-9-20(26)24-23(11-19)32-7-4-8-33-24)25(31)17(3)12-29-13-18-5-6-21(27)22(28)10-18/h5-6,9-11,16-17,29H,4,7-8,12-15,28H2,1-3H3
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| InChIKey |
GKWWOMFDCXXSHI-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