General Information of the Compound
| Compound ID |
CP0463388
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| Compound Name |
(5S,6S,10R,11S)-5-benzyl-10-butyl-6-hydroxy-4,11-dimethyl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
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| Structure |
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| Formula |
C22H31NO6
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| Molecular Weight |
405.491
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| Canonical SMILES |
CCCC[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/C22H31NO6/c1-4-5-11-19-15(2)22(27)28-14-20(25)23(3)17(18(24)13-21(26)29-19)12-16-9-7-6-8-10-16/h6-10,15,17-19,24H,4-5,11-14H2,1-3H3/t15-,17-,18-,19+/m0/s1
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| InChIKey |
CTARJIQUQSWZRW-DSLXNQLJSA-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