General Information of the Compound
| Compound ID |
CP0667268
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| Compound Name |
(6aR,7R)-1,2-Dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-ol
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| Structure |
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| Formula |
C18H19NO3
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| Molecular Weight |
297.354
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| Canonical SMILES |
COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2
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| InChI |
InChI=1S/C18H19NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-6,9,16-17,19-20H,7-8H2,1-2H3/t16-,17-/m1/s1
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| InChIKey |
KFMXRGXNQZECTP-IAGOWNOFSA-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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