General Information of the Compound
| Compound ID |
CP0428268
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| Compound Name |
N-[5-chloro-2-[(E)-3-[(1R,4R)-5-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxoprop-1-enyl]phenyl]acetamide
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| Structure |
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| Formula |
C23H23ClFN3O2
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| Molecular Weight |
427.907
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| Canonical SMILES |
CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1C[C@H]2C[C@@H]1CN2Cc1ccc(F)cc1
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| InChI |
InChI=1S/C23H23ClFN3O2/c1-15(29)26-22-10-18(24)6-4-17(22)5-9-23(30)28-14-20-11-21(28)13-27(20)12-16-2-7-19(25)8-3-16/h2-10,20-21H,11-14H2,1H3,(H,26,29)/b9-5+/t20-,21-/m1/s1
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| InChIKey |
AZIFSAXAWNUTJQ-ILWFSMKMSA-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