General Information of the Compound
| Compound ID |
CP0374573
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| Compound Name |
(13R)-13-(4-Hydroxybenzylcarbamoyl)-3,6,15-trioxo-16,16-diphenyl-1-((2R,3R,4S,5R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl)-2-oxa-7,9,14-triazahexadecan-8-iminium 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C37H45N5O11
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| Molecular Weight |
735.791
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| Canonical SMILES |
NC(NC(=O)CCC(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C37H45N5O11/c38-37(42-28(44)17-18-29(45)52-21-27-31(46)32(47)33(48)36(51)53-27)39-19-7-12-26(34(49)40-20-22-13-15-25(43)16-14-22)41-35(50)30(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-11,13-16,26-27,30-33,36,43,46-48,51H,7,12,17-21H2,(H,40,49)(H,41,50)(H3,38,39,42,44)/t26-,27-,31+,32+,33-,36-/m1/s1
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| InChIKey |
UEOCUCBATCYYRO-GJYCSCSHSA-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