General Information of the Compound
| Compound ID |
CP0221941
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| Compound Name |
1-(3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-yl)-3-methylphenoxy)propyl)-N,N-dimethylpyrrolidin-3-amine
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| Structure |
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| Formula |
C24H31FN4O
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| Molecular Weight |
410.537
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| Canonical SMILES |
CN(C)C1CCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1
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| InChI |
InChI=1S/C24H31FN4O/c1-16-14-19(30-13-5-11-29-12-10-18(15-29)28(3)4)6-7-20(16)24-26-22-9-8-21(25)17(2)23(22)27-24/h6-9,14,18H,5,10-13,15H2,1-4H3,(H,26,27)
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| InChIKey |
OWQWPXCWDHUFEH-UHFFFAOYSA-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