General Information of the Compound
| Compound ID |
CP0647535
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| Compound Name |
5-methyl-N-((S)-1-((S)-1-((S)-1-(4-methylbenzylamino)-1-oxo-4-phenylbutan-2-ylamino)-1-oxo-4-phenylbutan-2-ylamino)-1-oxo-4-phenylbutan-2-yl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C44H48N6O4
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| Molecular Weight |
724.906
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| Canonical SMILES |
Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CCc2ccccc2)NC(=O)c2cnc(C)cn2)cc1
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| InChI |
InChI=1S/C44H48N6O4/c1-31-18-20-36(21-19-31)29-47-41(51)37(25-22-33-12-6-3-7-13-33)48-42(52)38(26-23-34-14-8-4-9-15-34)49-43(53)39(27-24-35-16-10-5-11-17-35)50-44(54)40-30-45-32(2)28-46-40/h3-21,28,30,37-39H,22-27,29H2,1-2H3,(H,47,51)(H,48,52)(H,49,53)(H,50,54)/t37-,38-,39-/m0/s1
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| InChIKey |
ORAVQZCTZZMRFE-IGMOWHQGSA-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