General Information of the Compound
| Compound ID |
CP0919149
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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-((1E,3E)-4-(4-(dimethylamino)phenyl)buta-1,3-dienyl)-2,6-dimethylpyridinium-hydrotrifluoroacetate
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| Structure |
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| Formula |
C53H61F3N8O6
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| Molecular Weight |
963.115
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| Canonical SMILES |
Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)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/C51H60N8O4.C2HF3O2/c1-37-34-41(17-12-11-16-39-23-27-44(28-24-39)58(3)4)35-38(2)59(37)33-14-13-31-54-51(63)57-50(52)53-32-15-22-46(48(61)55-36-40-25-29-45(60)30-26-40)56-49(62)47(42-18-7-5-8-19-42)43-20-9-6-10-21-43;3-2(4,5)1(6)7/h5-12,16-21,23-30,34-35,46-47H,13-15,22,31-33,36H2,1-4H3,(H6-,52,53,54,55,56,57,60,61,62,63);(H,6,7)/t46-;/m1./s1
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| InChIKey |
XLHICDLSDHFPGM-FYQWNKFKSA-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