General Information of the Compound
| Compound ID |
CP0461121
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| Compound Name |
2-Diphenylacetylamino-5-guanidino-pentanoic acid ((R)-2-hydroxy-1-phenyl-ethyl)-amide
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| Structure |
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| Formula |
C28H33N5O3
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| Molecular Weight |
487.604
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CO)c1ccccc1
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| InChI |
InChI=1S/C28H33N5O3/c29-28(30)31-18-10-17-23(26(35)33-24(19-34)20-11-4-1-5-12-20)32-27(36)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25,34H,10,17-19H2,(H,32,36)(H,33,35)(H4,29,30,31)/t23?,24-/m0/s1
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| InChIKey |
HMBAZAWAYQBQCT-CGAIIQECSA-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