General Information of the Compound
| Compound ID |
CP0445798
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| Compound Name |
N-[5-chloro-2-[(E)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]acetamide
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| Structure |
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| Formula |
C22H23ClFN3O2
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| Molecular Weight |
415.896
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| Canonical SMILES |
CC(=O)Nc1cc(Cl)ccc1\C=C\C(=O)N1CCN(Cc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C22H23ClFN3O2/c1-16(28)25-21-14-19(23)6-4-18(21)5-9-22(29)27-12-10-26(11-13-27)15-17-2-7-20(24)8-3-17/h2-9,14H,10-13,15H2,1H3,(H,25,28)/b9-5+
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| InChIKey |
VRHDKJQVCPDYJB-WEVVVXLNSA-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
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT03048, C-C chemokine receptor type 1