General Information of the Compound
| Compound ID |
CP0919009
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| Compound Name |
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11-dioxo-2,8,10,12-tetraazahexadec-9-en-16-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 |
C55H63F3N8O6
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| Molecular Weight |
989.153
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| Canonical SMILES |
Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCCCNC(=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/C53H62N8O4.C2HF3O2/c1-37-32-40(21-22-41-34-44-18-12-29-60-30-13-19-45(35-41)49(44)60)33-38(2)61(37)31-10-9-27-56-53(65)59-52(54)55-28-11-20-47(50(63)57-36-39-23-25-46(62)26-24-39)58-51(64)48(42-14-5-3-6-15-42)43-16-7-4-8-17-43;3-2(4,5)1(6)7/h3-8,14-17,21-26,32-35,47-48H,9-13,18-20,27-31,36H2,1-2H3,(H6-,54,55,56,57,58,59,62,63,64,65);(H,6,7)/t47-;/m1./s1
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| InChIKey |
XDPWIHSMYHOLPY-QBGRQLKXSA-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