General Information of the Compound
| Compound ID |
CP0461119
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| Compound Name |
2-(2-Biphenyl-4-yl-acetylamino)-5-guanidino-pentanoic acid benzylamide
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| Structure |
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| Formula |
C27H31N5O2
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| Molecular Weight |
457.578
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)Cc1ccc(cc1)-c1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C27H31N5O2/c28-27(29)30-17-7-12-24(26(34)31-19-21-8-3-1-4-9-21)32-25(33)18-20-13-15-23(16-14-20)22-10-5-2-6-11-22/h1-6,8-11,13-16,24H,7,12,17-19H2,(H,31,34)(H,32,33)(H4,28,29,30)
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| InChIKey |
RBCKGMDFAAHELJ-UHFFFAOYSA-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