General Information of the Compound
| Compound ID |
CP0104183
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| Compound Name |
1-[4-({2-[(5-phenyl-1,3-thiazol-2-yl)amino]pyridin-4-yl}methyl)piperazin-1-yl]ethan-1-one
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| Structure |
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| Formula |
C21H23N5OS
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| Molecular Weight |
393.516
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| Canonical SMILES |
CC(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)-c3ccccc3)c2)CC1
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| InChI |
InChI=1S/C21H23N5OS/c1-16(27)26-11-9-25(10-12-26)15-17-7-8-22-20(13-17)24-21-23-14-19(28-21)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3,(H,22,23,24)
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| InChIKey |
FQJJCPJSVFSADI-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