General Information of the Compound
| Compound ID |
CP0439620
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| Compound Name |
2-Diphenylacetylamino-5-guanidino-pentanoic acid (2-pyridin-2-yl-ethyl)-amide
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| Structure |
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| Formula |
C27H32N6O2
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| Molecular Weight |
472.593
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccn1
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| InChI |
InChI=1S/C27H32N6O2/c28-27(29)32-18-9-15-23(25(34)31-19-16-22-14-7-8-17-30-22)33-26(35)24(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,17,23-24H,9,15-16,18-19H2,(H,31,34)(H,33,35)(H4,28,29,32)
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| InChIKey |
SKXIODLCUDAQPH-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