General Information of the Compound
| Compound ID |
CP0493210
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3-oxo-1,4-oxazepan-4-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C29H37F2N3O4
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| Molecular Weight |
529.628
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1CCCOCC1=O
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| InChI |
InChI=1S/C29H37F2N3O4/c1-20(35)33-26(15-21-13-23(30)17-24(31)14-21)27(36)18-32-29(9-3-2-4-10-29)22-7-5-8-25(16-22)34-11-6-12-38-19-28(34)37/h5,7-8,13-14,16-17,26-27,32,36H,2-4,6,9-12,15,18-19H2,1H3,(H,33,35)/t26-,27+/m0/s1
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| InChIKey |
PCWSXIPKKVFNIH-RRPNLBNLSA-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