General Information of the Compound
| Compound ID |
CP0469292
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| Compound Name |
US8722896, (-)-(2R)-2-Methyl-3-((2,6- difluoro)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 |
C25H31ClF2N2O3
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| Molecular Weight |
480.983
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1c(F)cccc1F
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| InChI |
InChI=1S/C25H31ClF2N2O3/c1-16(2)14-30(15-18-10-20(26)24-23(11-18)32-8-5-9-33-24)25(31)17(3)12-29-13-19-21(27)6-4-7-22(19)28/h4,6-7,10-11,16-17,29H,5,8-9,12-15H2,1-3H3
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| InChIKey |
HTLSXGHSMHEFSF-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