General Information of the Compound
| Compound ID |
CP0202154
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| Compound Name |
(+/-)isobutyl 2-((4-(diethylamino)phenyl)carbamoyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl(methyl)carbamate
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| Structure |
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| Formula |
C28H39N3O4
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| Molecular Weight |
481.637
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| Canonical SMILES |
CCN(CC)c1ccc(NC(=O)C2(CCc3cccc(OC)c3C2)N(C)C(=O)OCC(C)C)cc1
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| InChI |
InChI=1S/C28H39N3O4/c1-7-31(8-2)23-14-12-22(13-15-23)29-26(32)28(30(5)27(33)35-19-20(3)4)17-16-21-10-9-11-25(34-6)24(21)18-28/h9-15,20H,7-8,16-19H2,1-6H3,(H,29,32)
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| InChIKey |
KKCWWVHNSBBMSH-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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