General Information of the Compound
| Compound ID |
CP0849916
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| Compound Name |
2-(Hydroxymethyl)-4-[(1R)-1-hydroxy-2-({6-[(2-{[(4-methylphenyl)methyl]oxy}ethyl)oxy]hexyl}amino)ethyl]phenol Acetate Salt
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| Structure |
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| Formula |
C27H41NO7
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| Molecular Weight |
491.625
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| Canonical SMILES |
CC(=O)O.Cc1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1
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| InChI |
InChI=1S/C25H37NO5.C2H4O2/c1-20-6-8-21(9-7-20)19-31-15-14-30-13-5-3-2-4-12-26-17-25(29)22-10-11-24(28)23(16-22)18-27;1-2(3)4/h6-11,16,25-29H,2-5,12-15,17-19H2,1H3;1H3,(H,3,4)/t25-;/m0./s1
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| InChIKey |
MMKATJADDLNGTH-UQIIZPHYSA-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