General Information of the Compound
| Compound ID |
CP0063155
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| Compound Name |
4,4'-(benzo[d][1,3]dioxol-5-ylazanediyl)bis(methylene)dibenzene-1,2-diol
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| Structure |
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| Formula |
C21H19NO6
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| Molecular Weight |
381.384
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| Canonical SMILES |
Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3OCOc3c2)cc1O
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| InChI |
InChI=1S/C21H19NO6/c23-16-4-1-13(7-18(16)25)10-22(11-14-2-5-17(24)19(26)8-14)15-3-6-20-21(9-15)28-12-27-20/h1-9,23-26H,10-12H2
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| InChIKey |
FQPNWTQWSMOJRB-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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