General Information of the Compound
| Compound ID |
CP0305993
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[4-[3-(oxolan-3-yl)phenyl]oxan-4-yl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C27H34F2N2O4
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| Molecular Weight |
488.575
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCOCC1)c1cccc(c1)C1CCOC1
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| InChI |
InChI=1S/C27H34F2N2O4/c1-18(32)31-25(13-19-11-23(28)15-24(29)12-19)26(33)16-30-27(6-9-34-10-7-27)22-4-2-3-20(14-22)21-5-8-35-17-21/h2-4,11-12,14-15,21,25-26,30,33H,5-10,13,16-17H2,1H3,(H,31,32)/t21?,25-,26+/m0/s1
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| InChIKey |
KBLUIKVYUUMQFP-PBTPRMJDSA-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