General Information of the Compound
| Compound ID |
CP0845939
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| Compound Name |
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11-dioxo-13,16-dioxa-2,8,10-triazaoctadec-9-en-18-yl)-4-((E)-2-(1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinolin-9-yl)ethenyl)-2,6-dimethylpyridinium-hydrotrifluoroacetate
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| Structure |
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| Formula |
C56H64F3N7O8
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| Molecular Weight |
1020.163
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| Canonical SMILES |
Cc1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)c(C)[n+]1CCOCCOCC(=O)/N=C(/N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1.O=C([O-])C(F)(F)F
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| InChI |
InChI=1S/C54H63N7O6.C2HF3O2/c1-38-19-23-42(24-20-41-34-45-16-10-28-60-29-11-17-46(35-41)51(45)60)39(2)61(38)30-31-66-32-33-67-37-49(63)59-54(55)56-27-9-18-48(52(64)57-36-40-21-25-47(62)26-22-40)58-53(65)50(43-12-5-3-6-13-43)44-14-7-4-8-15-44;3-2(4,5)1(6)7/h3-8,12-15,19-26,34-35,48,50H,9-11,16-18,27-33,36-37H2,1-2H3,(H5-,55,56,57,58,59,62,63,64,65);(H,6,7)/b24-20+;/t48-;/m1./s1
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| InChIKey |
OUFJHNKSIWJBJY-QSEPFCGTSA-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