General Information of the Compound
| Compound ID |
CP0385774
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| Compound Name |
US8722896, (+/-)-2-Methyl-3-(N-methyl-indol- 4-ylmethylamino)-N-(9-chloro- 2,3,4,5-tetrahydro-1-benzoxepin- 7-ylmethyl)-N- isobutylpropanamide
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| Structure |
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| Formula |
C29H38ClN3O2
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| Molecular Weight |
496.095
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| Canonical SMILES |
CC(C)CN(Cc1cc(Cl)c2OCCCCc2c1)C(=O)C(C)CNCc1cccc2n(C)ccc12
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| InChI |
InChI=1S/C29H38ClN3O2/c1-20(2)18-33(19-22-14-23-8-5-6-13-35-28(23)26(30)15-22)29(34)21(3)16-31-17-24-9-7-10-27-25(24)11-12-32(27)4/h7,9-12,14-15,20-21,31H,5-6,8,13,16-19H2,1-4H3
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| InChIKey |
MPKIZEXUUBTYCR-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