General Information of the Compound
| Compound ID |
CP0302971
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| Compound Name |
1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-phenylethylamino)-4-fluoro-4-methyl-1-oxopentan-2-ylamino)-2,2,2-trifluoroethyl)biphenyl-4-yl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C33H34F4N4O2
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| Molecular Weight |
594.653
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| Canonical SMILES |
CC(C)(F)C[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccccc1)C#N
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| InChI |
InChI=1S/C33H34F4N4O2/c1-31(2,34)19-27(29(42)40-26(20-38)18-21-6-4-3-5-7-21)41-28(33(35,36)37)24-10-8-22(9-11-24)23-12-14-25(15-13-23)32(16-17-32)30(39)43/h3-15,26-28,41H,16-19H2,1-2H3,(H2,39,43)(H,40,42)/t26-,27-,28-/m0/s1
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| InChIKey |
ZUKNWGIRWRHHPH-KCHLEUMXSA-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
Protein ID: PT00974, Cathepsin B
Protein ID: PT03764, Cathepsin F