General Information of the Compound
| Compound ID |
CP0381071
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| Compound Name |
(2S,5S,6R,11S)-5-benzyl-6-hydroxy-4,11-dimethyl-2-propan-2-yl-1,9-dioxa-4-azacyclododecane-3,8,12-trione
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| Structure |
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| Formula |
C21H29NO6
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| Molecular Weight |
391.464
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| Canonical SMILES |
CC(C)[C@@H]1OC(=O)[C@@H](C)COC(=O)C[C@@H](O)[C@H](Cc2ccccc2)N(C)C1=O
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| InChI |
InChI=1S/C21H29NO6/c1-13(2)19-20(25)22(4)16(10-15-8-6-5-7-9-15)17(23)11-18(24)27-12-14(3)21(26)28-19/h5-9,13-14,16-17,19,23H,10-12H2,1-4H3/t14-,16-,17+,19-/m0/s1
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| InChIKey |
FLYPVINMSITAOM-RMRDIRSESA-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