General Information of the Compound
| Compound ID |
CP0541404
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- propylpanamide
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| Structure |
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| Formula |
C26H32ClN3O3
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| Molecular Weight |
470.013
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| Canonical SMILES |
CCCN(Cc1cc(Cl)c2OCCCOc2c1)C(=O)C(C)CNCc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C26H32ClN3O3/c1-3-10-30(17-19-13-22(27)25-24(14-19)32-11-5-12-33-25)26(31)18(2)15-28-16-20-6-4-7-23-21(20)8-9-29-23/h4,6-9,13-14,18,28-29H,3,5,10-12,15-17H2,1-2H3
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| InChIKey |
QPQXYADDRSUJTK-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