General Information of the Compound
| Compound ID |
CP0539523
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| Compound Name |
[4-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]phenyl]urea
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| Structure |
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| Formula |
C20H24N8OS
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| Molecular Weight |
424.534
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(N)=O)cc2)ncn1
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| InChI |
InChI=1S/C20H24N8OS/c1-2-27-7-9-28(10-8-27)18-11-17(23-13-24-18)26-20-22-12-16(30-20)14-3-5-15(6-4-14)25-19(21)29/h3-6,11-13H,2,7-10H2,1H3,(H3,21,25,29)(H,22,23,24,26)
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| InChIKey |
PZZCJDTUMFTZFJ-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