General Information of the Compound
| Compound ID |
CP0422283
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| Compound Name |
(5S,6S,10R,11S)-5-benzyl-6-(methoxymethoxy)-4,10,11-trimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
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| Structure |
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| Formula |
C21H29NO7
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| Molecular Weight |
407.463
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| Canonical SMILES |
COCO[C@H]1CC(=O)O[C@H](C)[C@H](C)C(=O)OCC(=O)N(C)[C@H]1Cc1ccccc1
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| InChI |
InChI=1S/C21H29NO7/c1-14-15(2)29-20(24)11-18(28-13-26-4)17(10-16-8-6-5-7-9-16)22(3)19(23)12-27-21(14)25/h5-9,14-15,17-18H,10-13H2,1-4H3/t14-,15+,17-,18-/m0/s1
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| InChIKey |
JBUZVHAAWGDAAE-MVJTYMMSSA-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