General Information of the Compound
| Compound ID |
CP0521951
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| Compound Name |
1H-Indole-2-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-amide
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| Structure |
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| Formula |
C33H44N8O4
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| Molecular Weight |
616.767
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C33H44N8O4/c34-29(42)26(18-21-10-3-1-4-11-21)40-30(43)25(16-9-17-37-33(35)36)39-31(44)27(19-22-12-5-2-6-13-22)41-32(45)28-20-23-14-7-8-15-24(23)38-28/h1,3-4,7-8,10-11,14-15,20,22,25-27,38H,2,5-6,9,12-13,16-19H2,(H2,34,42)(H,39,44)(H,40,43)(H,41,45)(H4,35,36,37)/t25-,26-,27-/m0/s1
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| InChIKey |
OBNYBJBVOSNBEQ-QKDODKLFSA-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