General Information of the Compound
| Compound ID |
CP0468830
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| Compound Name |
[2-[4-methyl-6-(2-methylpyridin-4-yl)pyridin-3-yl]pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
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| Structure |
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| Formula |
C20H20N4OS
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| Molecular Weight |
364.474
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| Canonical SMILES |
Cc1cc(ccn1)-c1cc(C)c(cn1)C1CCCN1C(=O)c1cncs1
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| InChI |
InChI=1S/C20H20N4OS/c1-13-8-17(15-5-6-22-14(2)9-15)23-10-16(13)18-4-3-7-24(18)20(25)19-11-21-12-26-19/h5-6,8-12,18H,3-4,7H2,1-2H3
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| InChIKey |
UNOLYCWUAKOIGH-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