General Information of the Compound
| Compound ID |
CP0847362
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| Compound Name |
2-Diphenylacetylamino-5-guanidino-pentanoic acid ((S)-1-phenyl-ethyl)-amide
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| Structure |
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| Formula |
C28H33N5O2
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| Molecular Weight |
471.605
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| Canonical SMILES |
C[C@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H33N5O2/c1-20(21-12-5-2-6-13-21)32-26(34)24(18-11-19-31-28(29)30)33-27(35)25(22-14-7-3-8-15-22)23-16-9-4-10-17-23/h2-10,12-17,20,24-25H,11,18-19H2,1H3,(H,32,34)(H,33,35)(H4,29,30,31)/t20-,24?/m0/s1
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| InChIKey |
JWTLMJAUZBYAPO-QHELBMECSA-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