General Information of the Compound
| Compound ID |
CP0459889
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| Compound Name |
2-[(2S,4aS,8S,8aS)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide
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| Structure |
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| Formula |
C23H33NO4
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| Molecular Weight |
387.52
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| Canonical SMILES |
COc1cc(CNC(=O)C(=C)[C@H]2CC[C@]3(C)CCC[C@](C)(O)[C@H]3C2)ccc1O
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| InChI |
InChI=1S/C23H33NO4/c1-15(21(26)24-14-16-6-7-18(25)19(12-16)28-4)17-8-11-22(2)9-5-10-23(3,27)20(22)13-17/h6-7,12,17,20,25,27H,1,5,8-11,13-14H2,2-4H3,(H,24,26)/t17-,20-,22-,23-/m0/s1
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| InChIKey |
FQRDVCMTKFZFKE-NWZJSZKRSA-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