General Information of the Compound
| Compound ID |
CP0399533
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| Compound Name |
[4-(5-methylthiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-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 |
Cc1ccc(s1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C20H20N4OS/c1-15-3-8-18(26-15)16-4-6-17(7-5-16)19(25)23-11-13-24(14-12-23)20-21-9-2-10-22-20/h2-10H,11-14H2,1H3
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| InChIKey |
BAHPMVAZGYQLKY-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