General Information of the Compound
| Compound ID |
CP0936827
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| Compound Name |
(R)-Nomega-(6-Aminohexyl)aminocarbonyl-Nalpha-diphenylacetyl-(4-hydroxy benzyl)argininamide bis(hydrotrifluoroacetate)
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| Structure |
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| Formula |
C36H46F3N7O6
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| Molecular Weight |
729.801
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| Canonical SMILES |
NCCCCCCNC(=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/C34H45N7O4.C2HF3O2/c35-21-9-1-2-10-22-38-34(45)41-33(36)37-23-11-16-29(31(43)39-24-25-17-19-28(42)20-18-25)40-32(44)30(26-12-5-3-6-13-26)27-14-7-4-8-15-27;3-2(4,5)1(6)7/h3-8,12-15,17-20,29-30,42H,1-2,9-11,16,21-24,35H2,(H,39,43)(H,40,44)(H4,36,37,38,41,45);(H,6,7)/t29-;/m1./s1
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| InChIKey |
OXYALBKRGGKVQU-XXIQNXCHSA-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