General Information of the Compound
| Compound ID |
CP0493801
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| Compound Name |
(R)-21-(4-Hydroxybenzylcarbamoyl)-3,7,14,23-tetraoxo-24,24-diphenyl-2-oxa-6,15,17,22-tetraazatetracosan-16-iminium2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C39H50N6O7
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| Molecular Weight |
714.864
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| Canonical SMILES |
COC(=O)CCNC(=O)CCCCCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C39H50N6O7/c1-52-35(49)24-26-41-33(47)18-10-2-3-11-19-34(48)45-39(40)42-25-12-17-32(37(50)43-27-28-20-22-31(46)23-21-28)44-38(51)36(29-13-6-4-7-14-29)30-15-8-5-9-16-30/h4-9,13-16,20-23,32,36,46H,2-3,10-12,17-19,24-27H2,1H3,(H,41,47)(H,43,50)(H,44,51)(H3,40,42,45,48)/t32-/m1/s1
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| InChIKey |
JMWDXLWLVWXNLL-JGCGQSQUSA-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