General Information of the Compound
| Compound ID |
CP0527919
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| Compound Name |
4-[4-(4-fluorophenyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
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| Structure |
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| Formula |
C27H28FN7OS
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| Molecular Weight |
517.634
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| Canonical SMILES |
Fc1ccc(cc1)-c1nc(sc1-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1)N1CCOCC1
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| InChI |
InChI=1S/C27H28FN7OS/c28-20-3-1-19(2-4-20)24-25(37-27(33-24)35-15-17-36-18-16-35)23-9-10-30-26(32-23)31-21-5-7-22(8-6-21)34-13-11-29-12-14-34/h1-10,29H,11-18H2,(H,30,31,32)
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| InChIKey |
AGHYWROLEMGBLK-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