General Information of the Compound
| Compound ID |
CP0469541
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| Compound Name |
1H-Benzoimidazole-5-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-phenyl-ethyl}-amide
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| Structure |
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| Formula |
C32H37N9O4
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| Molecular Weight |
611.707
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2nc[nH]c2c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C32H37N9O4/c33-28(42)26(16-20-8-3-1-4-9-20)40-30(44)24(12-7-15-36-32(34)35)39-31(45)27(17-21-10-5-2-6-11-21)41-29(43)22-13-14-23-25(18-22)38-19-37-23/h1-6,8-11,13-14,18-19,24,26-27H,7,12,15-17H2,(H2,33,42)(H,37,38)(H,39,45)(H,40,44)(H,41,43)(H4,34,35,36)/t24-,26-,27-/m0/s1
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| InChIKey |
VAPHDMBTCQWZQH-URORMMCBSA-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