General Information of the Compound
| Compound ID |
CP0076420
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| Compound Name |
1-(4'-((S)-1-((S)-1-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethylamino)-3-methyl-1-oxobutan-2-ylamino)-2,2,2-trifluoroethyl)biphenyl-4-yl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C33H31F4N5O2
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| Molecular Weight |
605.636
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| Canonical SMILES |
CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(N)=O)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N
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| InChI |
InChI=1S/C33H31F4N5O2/c1-19(2)28(30(43)41-26(18-39)16-24-4-3-20(17-38)15-27(24)34)42-29(33(35,36)37)23-7-5-21(6-8-23)22-9-11-25(12-10-22)32(13-14-32)31(40)44/h3-12,15,19,26,28-29,42H,13-14,16H2,1-2H3,(H2,40,44)(H,41,43)/t26-,28-,29-/m0/s1
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| InChIKey |
CDFSITIHQOZSIN-ZXRKZBAXSA-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
Protein ID: PT00824, Cathepsin K
Protein ID: PT01006, Cathepsin S