General Information of the Compound
| Compound ID |
CP0485053
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| Compound Name |
(5R,8R,11S)-11-[(4,5-dimethyl-1H-1,2,3-triazol-1-yl)methyl]-8-(propan-2-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
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| Structure |
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| Formula |
C33H42F3N7O4
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| Molecular Weight |
657.738
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(c2)C(F)(F)F)NCCOc2ccccc2CCCNC(=O)[C@H](Cn2nnc(C)c2C)NC1=O
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| InChI |
InChI=1S/C33H42F3N7O4/c1-20(2)29-32(46)39-27(19-43-22(4)21(3)41-42-43)30(44)38-14-8-11-24-10-5-6-13-28(24)47-16-15-37-26(31(45)40-29)18-23-9-7-12-25(17-23)33(34,35)36/h5-7,9-10,12-13,17,20,26-27,29,37H,8,11,14-16,18-19H2,1-4H3,(H,38,44)(H,39,46)(H,40,45)/t26-,27+,29-/m1/s1
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| InChIKey |
NFDQGTPOMHRTLM-IUAQSZDVSA-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