General Information of the Compound
| Compound ID |
CP0501350
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| Compound Name |
2-Diphenylacetylamino-5-guanidino-pentanoic acid [(R)-carbamoyl-(4-hydroxy-phenyl)-methyl]-amide
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| Structure |
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| Formula |
C28H32N6O4
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| Molecular Weight |
516.602
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C28H32N6O4/c29-25(36)24(20-13-15-21(35)16-14-20)34-26(37)22(12-7-17-32-28(30)31)33-27(38)23(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13-16,22-24,35H,7,12,17H2,(H2,29,36)(H,33,38)(H,34,37)(H4,30,31,32)/t22?,24-/m1/s1
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| InChIKey |
NSWUFKSJBNSHRP-SYIFMXBLSA-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