General Information of the Compound
| Compound ID |
CP0845119
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| Compound Name |
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,15-trioxo-19,22-dioxa-2,8,10,16-tetraazatetracos-9-en-24-yl)-2,6-dimethyl-4-(3-(1,1,3-trimethyl-1H-benzo[e]indol-2(3H)-ylidene)prop-1-enyl)pyridinium hydrotrifluoroacetate
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| Structure |
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| Formula |
C65H75F3N8O9
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| Molecular Weight |
1169.356
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| Canonical SMILES |
Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=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/C63H74N8O7.C2HF3O2/c1-44-41-47(17-14-25-55-63(3,4)59-52-23-13-12-18-48(52)30-33-54(59)70(55)5)42-45(2)71(44)36-38-78-40-39-77-37-35-65-56(73)26-15-27-57(74)69-62(64)66-34-16-24-53(60(75)67-43-46-28-31-51(72)32-29-46)68-61(76)58(49-19-8-6-9-20-49)50-21-10-7-11-22-50;3-2(4,5)1(6)7/h6-14,17-23,25,28-33,41-42,53,58H,15-16,24,26-27,34-40,43H2,1-5H3,(H6-,64,65,66,67,68,69,72,73,74,75,76);(H,6,7)/t53-;/m1./s1
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| InChIKey |
YSIHTZJKUBINMD-JFZWEQCNSA-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