General Information of the Compound
| Compound ID |
CP0845120
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| Compound Name |
1-((R)-9-Amino-4-(2,2-diphenylacetamido)-1-(4-hydroxyphenyl)-3,11,18-trioxo-22,25-dioxa-2,8,10,19-tetraazaheptacos-9-en-27-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 |
C68H81F3N8O9
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| Molecular Weight |
1211.437
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| Canonical SMILES |
Cc1cc(/C=C\C=C2\N(C)c3ccc4ccccc4c3C2(C)C)cc(C)[n+]1CCOCCOCCNC(=O)CCCCCCC(=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/C66H80N8O7.C2HF3O2/c1-47-44-50(20-18-28-58-66(3,4)62-55-26-17-16-21-51(55)33-36-57(62)73(58)5)45-48(2)74(47)39-41-81-43-42-80-40-38-68-59(76)29-14-6-7-15-30-60(77)72-65(67)69-37-19-27-56(63(78)70-46-49-31-34-54(75)35-32-49)71-64(79)61(52-22-10-8-11-23-52)53-24-12-9-13-25-53;3-2(4,5)1(6)7/h8-13,16-18,20-26,28,31-36,44-45,56,61H,6-7,14-15,19,27,29-30,37-43,46H2,1-5H3,(H6-,67,68,69,70,71,72,75,76,77,78,79);(H,6,7)/t56-;/m1./s1
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| InChIKey |
WFYLMLBCDFBZSJ-DRZXTAICSA-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