General Information of the Compound
| Compound ID |
CP0505733
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(3-oxo-2-azabicyclo[2.2.1]heptan-2-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide
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| Structure |
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| Formula |
C30H37F2N3O3
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| Molecular Weight |
525.64
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(CCCCC1)c1cccc(c1)N1C2CCC(C2)C1=O
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| InChI |
InChI=1S/C30H37F2N3O3/c1-19(36)34-27(14-20-12-23(31)17-24(32)13-20)28(37)18-33-30(10-3-2-4-11-30)22-6-5-7-25(16-22)35-26-9-8-21(15-26)29(35)38/h5-7,12-13,16-17,21,26-28,33,37H,2-4,8-11,14-15,18H2,1H3,(H,34,36)/t21?,26?,27-,28+/m0/s1
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| InChIKey |
OYEGKOBVNHEMFR-YSDFFMNWSA-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