General Information of the Compound
| Compound ID |
CP0505730
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]cyclopropyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C26H31F2N3O3
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| Molecular Weight |
471.548
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cccc(c1)N1CC2CC1CO2
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| InChI |
InChI=1S/C26H31F2N3O3/c1-16(32)30-24(9-17-7-19(27)11-20(28)8-17)25(33)13-29-26(5-6-26)18-3-2-4-21(10-18)31-14-23-12-22(31)15-34-23/h2-4,7-8,10-11,22-25,29,33H,5-6,9,12-15H2,1H3,(H,30,32)/t22?,23?,24-,25+/m0/s1
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| InChIKey |
VVZYJILCHBDRDY-ZOOXZOTBSA-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