General Information of the Compound
| Compound ID |
CP0105431
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| Compound Name |
(S)-N-((S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl)-2-((S)-1-(4'-((R)-2,2-difluoro-1-hydroxyethyl)biphenyl-4-yl)-2,2,2-trifluoroethylamino)-3-methylbutanamide
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| Structure |
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| Formula |
C31H28F6N4O2
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| Molecular Weight |
602.579
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| Canonical SMILES |
CC(C)[C@H](N[C@@H](c1ccc(cc1)-c1ccc(cc1)[C@@H](O)C(F)F)C(F)(F)F)C(=O)N[C@@H](Cc1ccc(cc1F)C#N)C#N
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| InChI |
InChI=1S/C31H28F6N4O2/c1-17(2)26(30(43)40-24(16-39)14-23-4-3-18(15-38)13-25(23)32)41-28(31(35,36)37)22-11-7-20(8-12-22)19-5-9-21(10-6-19)27(42)29(33)34/h3-13,17,24,26-29,41-42H,14H2,1-2H3,(H,40,43)/t24-,26-,27+,28-/m0/s1
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| InChIKey |
DFQDPBLCCLZOCK-WOHWVRMTSA-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