General Information of the Compound
| Compound ID |
CP0479774
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| Compound Name |
1-(5-ethyl-1,2-oxazol-3-yl)-3-[3-[2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]propyl]urea
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| Structure |
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| Formula |
C23H33N9O2S
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| Molecular Weight |
499.645
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2ncc(CCCNC(=O)Nc3cc(CC)on3)s2)nc(C)n1
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| InChI |
InChI=1S/C23H33N9O2S/c1-4-17-13-20(30-34-17)28-22(33)24-8-6-7-18-15-25-23(35-18)29-19-14-21(27-16(3)26-19)32-11-9-31(5-2)10-12-32/h13-15H,4-12H2,1-3H3,(H2,24,28,30,33)(H,25,26,27,29)
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| InChIKey |
KTODMAVSACJCDO-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