General Information of the Compound
| Compound ID |
CP0295571
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| Compound Name |
3-(3,5-dibromo-4-{[3-(ethylamino)phenyl]methoxy}phenyl)propanoic acid
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| Structure |
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| Formula |
C18H19Br2NO3
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| Molecular Weight |
457.162
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| Canonical SMILES |
CCNc1cccc(COc2c(Br)cc(CCC(O)=O)cc2Br)c1
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| InChI |
InChI=1S/C18H19Br2NO3/c1-2-21-14-5-3-4-13(8-14)11-24-18-15(19)9-12(10-16(18)20)6-7-17(22)23/h3-5,8-10,21H,2,6-7,11H2,1H3,(H,22,23)
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| InChIKey |
HNHRKBWCJIABCS-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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