General Information of the Compound
| Compound ID |
CP0226345
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| Compound Name |
US9040714, 167
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| Structure |
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| Formula |
C18H19NO7
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| Molecular Weight |
361.35
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| Canonical SMILES |
COc1cc2c(C)c(CC(=O)N3CCOCC3)c(=O)oc2c(C=O)c1O
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| InChI |
InChI=1S/C18H19NO7/c1-10-11-7-14(24-2)16(22)13(9-20)17(11)26-18(23)12(10)8-15(21)19-3-5-25-6-4-19/h7,9,22H,3-6,8H2,1-2H3
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| InChIKey |
IFDGMRMUJYGWQQ-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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