General Information of the Compound
| Compound ID |
CP0495181
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| Compound Name |
1-[4-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C24H27N5O3S
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| Molecular Weight |
465.579
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| Canonical SMILES |
C=CC(=O)N1CCC(CC1)Oc1nc(Nc2ccc(cc2)N2CCOCC2)nc2ccsc12
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| InChI |
InChI=1S/C24H27N5O3S/c1-2-21(30)29-10-7-19(8-11-29)32-23-22-20(9-16-33-22)26-24(27-23)25-17-3-5-18(6-4-17)28-12-14-31-15-13-28/h2-6,9,16,19H,1,7-8,10-15H2,(H,25,26,27)
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| InChIKey |
CHKYEWAWXLORFR-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