General Information of the Compound
| Compound ID |
CP0931006
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| Compound Name |
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11-dioxo-14,17,20-trioxa-2,8,10-triazadocos-9-en-22-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 |
C59H70F3N7O9
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| Molecular Weight |
1078.243
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| Canonical SMILES |
Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCOCCOCCOCCC(=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/C57H69N7O7.C2HF3O2/c1-41-36-44(19-20-45-38-48-16-10-27-63-28-11-17-49(39-45)54(48)63)37-42(2)64(41)29-31-70-33-35-71-34-32-69-30-25-52(66)62-57(58)59-26-9-18-51(55(67)60-40-43-21-23-50(65)24-22-43)61-56(68)53(46-12-5-3-6-13-46)47-14-7-4-8-15-47;3-2(4,5)1(6)7/h3-8,12-15,19-24,36-39,51,53H,9-11,16-18,25-35,40H2,1-2H3,(H5-,58,59,60,61,62,65,66,67,68);(H,6,7)/t51-;/m1./s1
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| InChIKey |
JRJMDZIQRUQBIC-GLOFXQGCSA-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