General Information of the Compound
| Compound ID |
CP0231911
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[1-[5-(2,2-dimethylpropyl)pyridin-3-yl]cyclopropyl]amino]-3-hydroxybutan-2-yl]acetamide
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| Structure |
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| Formula |
C25H33F2N3O2
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| Molecular Weight |
445.554
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CC1)c1cncc(CC(C)(C)C)c1
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| InChI |
InChI=1S/C25H33F2N3O2/c1-16(31)30-22(10-17-8-20(26)11-21(27)9-17)23(32)15-29-25(5-6-25)19-7-18(13-28-14-19)12-24(2,3)4/h7-9,11,13-14,22-23,29,32H,5-6,10,12,15H2,1-4H3,(H,30,31)/t22-,23+/m0/s1
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| InChIKey |
WETWCOGJYRYKDB-XZOQPEGZSA-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