General Information of the Compound
| Compound ID |
CP0518474
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| Compound Name |
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-1-[(S)-1-((S)-1-carbamoyl-2-thiophen-2-yl-ethylcarbamoyl)-4-guanidino-butylcarbamoyl]-2-cyclohexyl-ethyl}-amide
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| Structure |
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| Formula |
C25H39N11O4S
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| Molecular Weight |
589.727
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](Cc1cccs1)C(N)=O
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| InChI |
InChI=1S/C25H39N11O4S/c26-19(37)17(13-15-8-5-11-41-15)32-21(38)16(9-4-10-30-24(27)28)31-22(39)18(12-14-6-2-1-3-7-14)33-23(40)20-34-25(29)36-35-20/h5,8,11,14,16-18H,1-4,6-7,9-10,12-13H2,(H2,26,37)(H,31,39)(H,32,38)(H,33,40)(H4,27,28,30)(H3,29,34,35,36)/t16-,17-,18-/m0/s1
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| InChIKey |
XFJZFBHOWPXHGA-BZSNNMDCSA-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