General Information of the Compound
| Compound ID |
CP0919148
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| Compound Name |
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,15-trioxo-2,8,10,16-tetraazanonadec-9-en-19-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 |
C58H67F3N8O7
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| Molecular Weight |
1045.217
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| Canonical SMILES |
Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCNC(=O)CCCC(=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/C56H66N8O5.C2HF3O2/c1-39-34-42(23-24-43-36-46-18-11-31-63-32-12-19-47(37-43)53(46)63)35-40(2)64(39)33-13-30-58-50(66)21-9-22-51(67)62-56(57)59-29-10-20-49(54(68)60-38-41-25-27-48(65)28-26-41)61-55(69)52(44-14-5-3-6-15-44)45-16-7-4-8-17-45;3-2(4,5)1(6)7/h3-8,14-17,23-28,34-37,49,52H,9-13,18-22,29-33,38H2,1-2H3,(H6-,57,58,59,60,61,62,65,66,67,68,69);(H,6,7)/t49-;/m1./s1
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| InChIKey |
SXOUPAMNUMFIQR-RNKBXTRMSA-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