General Information of the Compound
| Compound ID |
CP0429888
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| Compound Name |
(5S,6R,10R,11S)-5-benzyl-10-heptyl-6-(methoxymethoxy)-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
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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 |
CCCCCCC[C@H]1OC(=O)C[C@@H](OCOC)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
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| InChI |
InChI=1S/C27H41NO7/c1-5-6-7-8-12-15-23-20(2)27(31)33-18-25(29)28(3)22(16-21-13-10-9-11-14-21)24(34-19-32-4)17-26(30)35-23/h9-11,13-14,20,22-24H,5-8,12,15-19H2,1-4H3/t20-,22-,23+,24+/m0/s1
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| InChIKey |
UCCMWXLZDDHCOI-IQFVJIFQSA-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