General Information of the Compound
| Compound ID |
CP0527921
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| Compound Name |
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C24H23FN6S
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| Molecular Weight |
446.555
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| Canonical SMILES |
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(NCc2ccncc2)n1)C1CCNCC1
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| InChI |
InChI=1S/C24H23FN6S/c25-19-3-1-17(2-4-19)21-22(32-23(31-21)18-7-12-27-13-8-18)20-9-14-28-24(30-20)29-15-16-5-10-26-11-6-16/h1-6,9-11,14,18,27H,7-8,12-13,15H2,(H,28,29,30)
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| InChIKey |
YWNZQAHWRLIRPK-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