General Information of the Compound
| Compound ID |
CP0470581
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| Compound Name |
(2S,5S,6R,10R,11S)-5-benzyl-10-heptyl-6-(methoxymethoxy)-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
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| Structure |
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| Formula |
C30H47NO7
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| Molecular Weight |
533.706
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| Canonical SMILES |
CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](OC(=O)[C@H]1C)C(C)C
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| InChI |
InChI=1S/C30H47NO7/c1-7-8-9-10-14-17-25-22(4)30(34)38-28(21(2)3)29(33)31(5)24(18-23-15-12-11-13-16-23)26(36-20-35-6)19-27(32)37-25/h11-13,15-16,21-22,24-26,28H,7-10,14,17-20H2,1-6H3/t22-,24-,25+,26+,28-/m0/s1
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| InChIKey |
STAAVYLOHNGUFX-ZNKMBPQTSA-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