General Information of the Compound
| Compound ID |
CP0455439
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| Compound Name |
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid ((S)-1-{(S)-1-[(S)-1-carbamoyl-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-cyclohexyl-ethyl)-amide
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| Structure |
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| Formula |
C24H39N13O4
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| Molecular Weight |
573.663
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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](Cc1cnc[nH]1)C(N)=O
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| InChI |
InChI=1S/C24H39N13O4/c25-18(38)16(10-14-11-29-12-31-14)33-20(39)15(7-4-8-30-23(26)27)32-21(40)17(9-13-5-2-1-3-6-13)34-22(41)19-35-24(28)37-36-19/h11-13,15-17H,1-10H2,(H2,25,38)(H,29,31)(H,32,40)(H,33,39)(H,34,41)(H4,26,27,30)(H3,28,35,36,37)/t15-,16-,17-/m0/s1
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| InChIKey |
AJPUJSNLKAYBTL-ULQDDVLXSA-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