General Information of the Compound
| Compound ID |
CP0538203
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| Compound Name |
US8722896, 3-(Benzyl(methyl)amino)-N-(9- chloro-3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C25H33ClN2O3
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| Molecular Weight |
445.003
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)CCN(C)Cc1ccccc1
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| InChI |
InChI=1S/C25H33ClN2O3/c1-19(2)16-28(24(29)10-11-27(3)17-20-8-5-4-6-9-20)18-21-14-22(26)25-23(15-21)30-12-7-13-31-25/h4-6,8-9,14-15,19H,7,10-13,16-18H2,1-3H3
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| InChIKey |
FFWMIHFPJXWRSN-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