General Information of the Compound
| Compound ID |
CP0452948
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| Compound Name |
(4R,12R,13S,14R,15R)-12,13,14,15-Tetraacetoxy-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,18-trioxo-17-oxa-2,8,-10-triazanonadecan-9-iminium 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C43H51N5O14
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| Molecular Weight |
861.902
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| Canonical SMILES |
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC(N)=NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1
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| InChI |
InChI=1S/C43H51N5O14/c1-25(49)58-24-35(59-26(2)50)37(60-27(3)51)38(61-28(4)52)39(62-29(5)53)42(57)48-43(44)45-22-12-17-34(40(55)46-23-30-18-20-33(54)21-19-30)47-41(56)36(31-13-8-6-9-14-31)32-15-10-7-11-16-32/h6-11,13-16,18-21,34-39,54H,12,17,22-24H2,1-5H3,(H,46,55)(H,47,56)(H3,44,45,48,57)/t34-,35-,37-,38+,39-/m1/s1
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| InChIKey |
VNWSUZAWFPNIMM-CXZAKFCASA-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