General Information of the Compound
| Compound ID |
CP0426562
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| Compound Name |
4-((S)-3-(((S)-1-((5-(Benzylcarbamoyl)-3'-cyano-[1,1'-biphenyl]-3-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-(4-cyanobenzamido)-3-oxopropyl)phenyl dihydrogen phosphate
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| Structure |
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| Formula |
C44H41N6O8P
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| Molecular Weight |
812.82
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(cc1)C#N)C(=O)Nc1cc(cc(c1)-c1cccc(c1)C#N)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C44H41N6O8P/c1-28(2)19-39(50-44(54)40(49-42(52)33-15-11-30(25-45)12-16-33)21-29-13-17-38(18-14-29)58-59(55,56)57)43(53)48-37-23-35(34-10-6-9-32(20-34)26-46)22-36(24-37)41(51)47-27-31-7-4-3-5-8-31/h3-18,20,22-24,28,39-40H,19,21,27H2,1-2H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,55,56,57)/t39-,40-/m0/s1
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| InChIKey |
YRGMOJWHYSHMKB-ZAQUEYBZSA-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