General Information of the Compound
| Compound ID |
CP0483342
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| Compound Name |
2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol
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| Structure |
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| Formula |
C25H25FN6OS
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| Molecular Weight |
476.581
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| Canonical SMILES |
OC(CNc1nccc(n1)-c1sc(nc1-c1ccc(F)cc1)C1CCNCC1)c1ccncc1
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| InChI |
InChI=1S/C25H25FN6OS/c26-19-3-1-17(2-4-19)22-23(34-24(32-22)18-7-12-28-13-8-18)20-9-14-29-25(31-20)30-15-21(33)16-5-10-27-11-6-16/h1-6,9-11,14,18,21,28,33H,7-8,12-13,15H2,(H,29,30,31)
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| InChIKey |
UPQOMQTWBXNCOY-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