General Information of the Compound
| Compound ID |
CP0474207
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| Compound Name |
1-(5-ethyl-1,2-oxazol-3-yl)-3-[5-[2-[[6-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazol-5-yl]pyridin-2-yl]urea
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| Structure |
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| Formula |
C24H28N10O2S
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| Molecular Weight |
520.623
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)nc2)ncn1
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| InChI |
InChI=1S/C24H28N10O2S/c1-3-17-11-21(32-36-17)30-23(35)29-19-6-5-16(13-25-19)18-14-26-24(37-18)31-20-12-22(28-15-27-20)34-9-7-33(4-2)8-10-34/h5-6,11-15H,3-4,7-10H2,1-2H3,(H,26,27,28,31)(H2,25,29,30,32,35)
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| InChIKey |
ANSBRKRKQZNXNT-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