General Information of the Compound
| Compound ID |
CP0544843
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-((3-methoxy-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 |
C26H34ClFN2O4
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| Molecular Weight |
493.019
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| Canonical SMILES |
COc1cc(CNCC(C)C(=O)N(CC(C)C)Cc2cc(Cl)c3OCCCOc3c2)ccc1F
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| InChI |
InChI=1S/C26H34ClFN2O4/c1-17(2)15-30(16-20-10-21(27)25-24(12-20)33-8-5-9-34-25)26(31)18(3)13-29-14-19-6-7-22(28)23(11-19)32-4/h6-7,10-12,17-18,29H,5,8-9,13-16H2,1-4H3
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| InChIKey |
FHRPVUAMRFIRNB-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