General Information of the Compound
| Compound ID |
CP0383894
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| Compound Name |
(2S,5S,6R,10R)-5-benzyl-10-heptyl-6-hydroxy-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 |
C27H41NO6
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| Molecular Weight |
475.626
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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](O)CC(=O)O1
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| InChI |
InChI=1S/C27H41NO6/c1-5-6-7-8-12-15-21-17-24(30)34-26(19(2)3)27(32)28(4)22(23(29)18-25(31)33-21)16-20-13-10-9-11-14-20/h9-11,13-14,19,21-23,26,29H,5-8,12,15-18H2,1-4H3/t21-,22+,23-,26+/m1/s1
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| InChIKey |
OKLJLJXFMBXPDZ-VUMQFKOGSA-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