General Information of the Compound
| Compound ID |
CP0456899
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| Compound Name |
(5S,6S,10R,11S)-5-benzyl-10-heptyl-6-(methoxymethoxy)-2,2,4,11-tetramethyl-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]1OC(=O)C[C@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)C(C)(C)OC(=O)[C@H]1C
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| InChI |
InChI=1S/C29H45NO7/c1-7-8-9-10-14-17-24-21(2)27(32)37-29(3,4)28(33)30(5)23(18-22-15-12-11-13-16-22)25(35-20-34-6)19-26(31)36-24/h11-13,15-16,21,23-25H,7-10,14,17-20H2,1-6H3/t21-,23-,24+,25-/m0/s1
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| InChIKey |
KNTPFGSYNKRFMD-CGBRIMPHSA-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