General Information of the Compound
| Compound ID |
CP0919150
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| Compound Name |
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,16-trioxo-20,23-dioxa-2,8,10,17-tetraazapentacos-9-en-25-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 |
C66H77F3N8O9
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| Molecular Weight |
1183.383
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| Canonical SMILES |
Cc1cc(/C=C/C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCC(=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/C64H76N8O7.C2HF3O2/c1-45-42-48(18-16-26-56-64(3,4)60-53-24-13-12-19-49(53)31-34-55(60)71(56)5)43-46(2)72(45)37-39-79-41-40-78-38-36-66-57(74)27-14-15-28-58(75)70-63(65)67-35-17-25-54(61(76)68-44-47-29-32-52(73)33-30-47)69-62(77)59(50-20-8-6-9-21-50)51-22-10-7-11-23-51;3-2(4,5)1(6)7/h6-13,16,18-24,26,29-34,42-43,54,59H,14-15,17,25,27-28,35-41,44H2,1-5H3,(H6-,65,66,67,68,69,70,73,74,75,76,77);(H,6,7)/t54-;/m1./s1
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| InChIKey |
YAOYZZOGPQBNJX-KINGROEASA-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