General Information of the Compound
| Compound ID |
CP0498812
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| Compound Name |
[2-[6-(3-chlorophenyl)-4-methylpyridin-3-yl]-4-fluoropyrrolidin-1-yl]-pyrazin-2-ylmethanone
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| Structure |
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| Formula |
C21H18ClFN4O
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| Molecular Weight |
396.853
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| Canonical SMILES |
Cc1cc(ncc1C1CC(F)CN1C(=O)c1cnccn1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H18ClFN4O/c1-13-7-18(14-3-2-4-15(22)8-14)26-10-17(13)20-9-16(23)12-27(20)21(28)19-11-24-5-6-25-19/h2-8,10-11,16,20H,9,12H2,1H3
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| InChIKey |
MBZPPLOZGLHLMF-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