General Information of the Compound
| Compound ID |
CP0553868
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| Compound Name |
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C29H32FN7S
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| Molecular Weight |
529.689
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(nc2-c2ccc(F)cc2)C2CCNCC2)cc1
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| InChI |
InChI=1S/C29H32FN7S/c1-36-16-18-37(19-17-36)24-8-6-23(7-9-24)33-29-32-15-12-25(34-29)27-26(20-2-4-22(30)5-3-20)35-28(38-27)21-10-13-31-14-11-21/h2-9,12,15,21,31H,10-11,13-14,16-19H2,1H3,(H,32,33,34)
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| InChIKey |
VGHIIWVNJHJIHO-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