General Information of the Compound
| Compound ID |
CP0501925
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| Compound Name |
(R)-2-{4-[4-(Ammoniomethyl)-1H-1,2,3-triazol-1-yl]butanoyl}-1-[4-(2,2-diphenylacetamido)-5-(4-hydroxybenzylamino)-5-oxopentyl]guanidinium 2,2,2-trifluoroacetate
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| Structure |
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| Formula |
C34H41N9O4
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| Molecular Weight |
639.761
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| Canonical SMILES |
NCc1cn(CCCC(=O)NC(N)=NCCC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCc2ccc(O)cc2)nn1
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| InChI |
InChI=1S/C34H41N9O4/c35-21-27-23-43(42-41-27)20-8-14-30(45)40-34(36)37-19-7-13-29(32(46)38-22-24-15-17-28(44)18-16-24)39-33(47)31(25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-6,9-12,15-18,23,29,31,44H,7-8,13-14,19-22,35H2,(H,38,46)(H,39,47)(H3,36,37,40,45)/t29-/m1/s1
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| InChIKey |
VATHOEWSWNWXKL-GDLZYMKVSA-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