General Information of the Compound
| Compound ID |
CP0528032
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| Compound Name |
5-[(2,4-dibromophenyl)methoxy]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C28H22Br2N2O5
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| Molecular Weight |
626.301
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| Canonical SMILES |
COc1ccc2[nH]cc(CCNC(=O)c3cc(=O)c4c(OCc5ccc(Br)cc5Br)cccc4o3)c2c1
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| InChI |
InChI=1S/C28H22Br2N2O5/c1-35-19-7-8-22-20(12-19)16(14-32-22)9-10-31-28(34)26-13-23(33)27-24(3-2-4-25(27)37-26)36-15-17-5-6-18(29)11-21(17)30/h2-8,11-14,32H,9-10,15H2,1H3,(H,31,34)
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| InChIKey |
VNQSLBAGTCEQAK-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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