General Information of the Compound
| Compound ID |
CP0527377
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| Compound Name |
[2-[6-(3-chlorophenyl)pyridin-3-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
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| Structure |
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| Formula |
C20H17ClN4O
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| Molecular Weight |
364.836
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| Canonical SMILES |
Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cnccn1
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| InChI |
InChI=1S/C20H17ClN4O/c21-16-4-1-3-14(11-16)17-7-6-15(12-24-17)19-5-2-10-25(19)20(26)18-13-22-8-9-23-18/h1,3-4,6-9,11-13,19H,2,5,10H2
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| InChIKey |
VUTGVPBYFVEYNJ-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