General Information of the Compound
| Compound ID |
CP0425122
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| Compound Name |
[2-[6-(3-chlorophenyl)-4-methylpyridin-3-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
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| Structure |
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| Formula |
C21H19ClN4O
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| Molecular Weight |
378.863
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| Canonical SMILES |
Cc1cc(ncc1C1CCCN1C(=O)c1cnccn1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H19ClN4O/c1-14-10-18(15-4-2-5-16(22)11-15)25-12-17(14)20-6-3-9-26(20)21(27)19-13-23-7-8-24-19/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3
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| InChIKey |
ONVLREVIUSKYQD-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