General Information of the Compound
| Compound ID |
CP0509928
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| Compound Name |
(2S,5S,6R,10R,11S)-5-benzyl-6-hydroxy-4,10,11-trimethyl-2-propan-2-yl-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 |
CC(C)[C@@H]1OC(=O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
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| InChI |
InChI=1S/C22H31NO6/c1-13(2)20-21(26)23(5)17(11-16-9-7-6-8-10-16)18(24)12-19(25)28-15(4)14(3)22(27)29-20/h6-10,13-15,17-18,20,24H,11-12H2,1-5H3/t14-,15+,17-,18+,20-/m0/s1
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| InChIKey |
PBDWEPPZSHZNKO-HOXSDCPRSA-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