General Information of the Compound
| Compound ID |
CP0408377
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| Compound Name |
5-Amino-1H-[1,2,4]triazole-3-carboxylic acid ((S)-1-{(S)-1-[(S)-1-carbamoyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-cyclohexyl-ethyl)-amide
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| Structure |
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| Formula |
C27H41N11O5
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| Molecular Weight |
599.697
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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](Cc1ccc(O)cc1)C(N)=O
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| InChI |
InChI=1S/C27H41N11O5/c28-21(40)19(13-16-8-10-17(39)11-9-16)34-23(41)18(7-4-12-32-26(29)30)33-24(42)20(14-15-5-2-1-3-6-15)35-25(43)22-36-27(31)38-37-22/h8-11,15,18-20,39H,1-7,12-14H2,(H2,28,40)(H,33,42)(H,34,41)(H,35,43)(H4,29,30,32)(H3,31,36,37,38)/t18-,19-,20-/m0/s1
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| InChIKey |
SDCKEYCWYCHOSX-UFYCRDLUSA-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