General Information of the Compound
| Compound ID |
CP0298817
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| Compound Name |
1-(4-(4-(3,6-dihydro-2H-pyran-4-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-phenylurea
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| Structure |
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| Formula |
C24H20N4O2S
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| Molecular Weight |
428.517
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| Canonical SMILES |
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(C2=CCOCC2)c2sccc2n1
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| InChI |
InChI=1S/C24H20N4O2S/c29-24(25-18-4-2-1-3-5-18)26-19-8-6-17(7-9-19)23-27-20-12-15-31-22(20)21(28-23)16-10-13-30-14-11-16/h1-10,12,15H,11,13-14H2,(H2,25,26,29)
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| InChIKey |
XODBIHJLJPZWEL-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