General Information of the Compound
| Compound ID |
CP0552987
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| Compound Name |
N-(5-ethyl-1,2-oxazol-3-yl)-4-[2-[[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]-1,3-thiazol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
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| Structure |
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| Formula |
C25H33N9O2S
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| Molecular Weight |
523.667
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2ncc(s2)C2=CCN(CC2)C(=O)Nc2cc(CC)on2)nc(C)n1
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| InChI |
InChI=1S/C25H33N9O2S/c1-4-19-14-22(31-36-19)30-25(35)34-8-6-18(7-9-34)20-16-26-24(37-20)29-21-15-23(28-17(3)27-21)33-12-10-32(5-2)11-13-33/h6,14-16H,4-5,7-13H2,1-3H3,(H,30,31,35)(H,26,27,28,29)
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| InChIKey |
XOSHNFWHVQJBGN-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