General Information of the Compound
| Compound ID |
CP0405107
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| Compound Name |
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid {(S)-1-[(S)-5-amino-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-pentylcarbamoyl]-2-cyclohexyl-ethyl}-amide
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| Structure |
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| Formula |
C27H41N9O4
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| Molecular Weight |
555.684
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| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1nnc(N)[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C27H41N9O4/c28-14-8-7-13-19(24(38)32-20(22(29)37)15-17-9-3-1-4-10-17)31-25(39)21(16-18-11-5-2-6-12-18)33-26(40)23-34-27(30)36-35-23/h1,3-4,9-10,18-21H,2,5-8,11-16,28H2,(H2,29,37)(H,31,39)(H,32,38)(H,33,40)(H3,30,34,35,36)/t19-,20-,21-/m0/s1
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| InChIKey |
GOAXXCKYRYEYTR-ACRUOGEOSA-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