General Information of the Compound
| Compound ID |
CP0533190
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| Compound Name |
[4-(5-chlorothiophen-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
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| Structure |
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| Formula |
C19H17ClN4OS
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| Molecular Weight |
384.892
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| Canonical SMILES |
Clc1ccc(s1)-c1ccc(cc1)C(=O)N1CCN(CC1)c1ncccn1
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| InChI |
InChI=1S/C19H17ClN4OS/c20-17-7-6-16(26-17)14-2-4-15(5-3-14)18(25)23-10-12-24(13-11-23)19-21-8-1-9-22-19/h1-9H,10-13H2
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| InChIKey |
LDDYEQQCLSXXRT-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