General Information of the Compound
| Compound ID |
CP0438113
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| Compound Name |
(5S,6R,10R,11S)-5-benzyl-10-heptyl-6-hydroxy-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
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| Structure |
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| Formula |
C25H37NO6
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| Molecular Weight |
447.572
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| Canonical SMILES |
CCCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C(=O)COC(=O)[C@H]1C
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| InChI |
InChI=1S/C25H37NO6/c1-4-5-6-7-11-14-22-18(2)25(30)31-17-23(28)26(3)20(21(27)16-24(29)32-22)15-19-12-9-8-10-13-19/h8-10,12-13,18,20-22,27H,4-7,11,14-17H2,1-3H3/t18-,20-,21+,22+/m0/s1
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| InChIKey |
BLMHSWGWEUOGCI-VXSCBNMQSA-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