General Information of the Compound
| Compound ID |
CP0378011
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| Compound Name |
N-[6-[(E)-3-[3-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-oxoprop-1-enyl]quinolin-7-yl]acetamide
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| Structure |
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| Formula |
C27H27FN4O2
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| Molecular Weight |
458.537
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| Canonical SMILES |
CC(=O)Nc1cc2ncccc2cc1\C=C\C(=O)N1C2CCC1CN(Cc1ccc(F)cc1)C2
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| InChI |
InChI=1S/C27H27FN4O2/c1-18(33)30-26-14-25-20(3-2-12-29-25)13-21(26)6-11-27(34)32-23-9-10-24(32)17-31(16-23)15-19-4-7-22(28)8-5-19/h2-8,11-14,23-24H,9-10,15-17H2,1H3,(H,30,33)/b11-6+
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| InChIKey |
AHYXGZDCECWMIM-IZZDOVSWSA-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: PT03048, C-C chemokine receptor type 1
Protein ID: PT01070, C-C chemokine receptor type 1