General Information of the Compound
| Compound ID |
CP0080580
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| Compound Name |
4,40-(1E,10E)-2,20-(Isoxazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)
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| Structure |
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| Formula |
C21H19NO5
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| Molecular Weight |
365.385
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| Canonical SMILES |
COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)on2)ccc1O
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| InChI |
InChI=1S/C21H19NO5/c1-25-20-11-14(5-9-18(20)23)3-7-16-13-17(27-22-16)8-4-15-6-10-19(24)21(12-15)26-2/h3-13,23-24H,1-2H3/b7-3+,8-4+
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| InChIKey |
MRBBFOWSPXHYQT-FCXRPNKRSA-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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