General Information of the Compound
| Compound ID |
CP0385593
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| Compound Name |
(4aR,7aS,12bR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7a-hexahydro-[1]benzofuro[3,2-e]isoquinolin-7-one
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| Structure |
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| Formula |
C19H23NO4
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| Molecular Weight |
329.396
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| Canonical SMILES |
Oc1cccc2c1O[C@@H]1C(=O)CC[C@]3(O)CN(CC4CC4)CC[C@@]213
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| InChI |
InChI=1S/C19H23NO4/c21-14-3-1-2-13-16(14)24-17-15(22)6-7-18(23)11-20(10-12-4-5-12)9-8-19(13,17)18/h1-3,12,17,21,23H,4-11H2/t17-,18+,19-/m1/s1
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| InChIKey |
UMHPRKCQYOLPKK-CEXWTWQISA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound