General Information of the Compound
| Compound ID |
CP0391984
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| Compound Name |
(2S,5S,6R,10R)-5-benzyl-10-heptyl-6-(methoxymethoxy)-4-methyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
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| Structure |
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| Formula |
C29H45NO7
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| Molecular Weight |
519.679
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| Canonical SMILES |
CCCCCCC[C@@H]1CC(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)[C@@H](CC(=O)O1)OCOC
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| InChI |
InChI=1S/C29H45NO7/c1-6-7-8-9-13-16-23-18-26(31)37-28(21(2)3)29(33)30(4)24(17-22-14-11-10-12-15-22)25(35-20-34-5)19-27(32)36-23/h10-12,14-15,21,23-25,28H,6-9,13,16-20H2,1-5H3/t23-,24+,25-,28+/m1/s1
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| InChIKey |
XGNUNLFFZAYAOG-JHXDXHAQSA-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