General Information of the Compound
| Compound ID |
CP0451361
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| Compound Name |
1H-Pyrrole-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 |
C29H42N8O4
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| Molecular Weight |
566.707
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C29H42N8O4/c30-25(38)23(17-19-9-3-1-4-10-19)36-27(40)22(14-8-16-34-29(31)32)35-28(41)24(18-20-11-5-2-6-12-20)37-26(39)21-13-7-15-33-21/h1,3-4,7,9-10,13,15,20,22-24,33H,2,5-6,8,11-12,14,16-18H2,(H2,30,38)(H,35,41)(H,36,40)(H,37,39)(H4,31,32,34)/t22-,23-,24-/m0/s1
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| InChIKey |
FGVKKDVWXHUIGH-HJOGWXRNSA-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