General Information of the Compound
| Compound ID |
CP0239063
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| Compound Name |
4-[2-(2-ethylbenzimidazol-1-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C25H31N7O3S2
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| Molecular Weight |
541.703
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| Canonical SMILES |
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC3)S(C)(=O)=O)cc2n1
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| InChI |
InChI=1S/C25H31N7O3S2/c1-3-22-26-19-6-4-5-7-21(19)32(22)25-27-20-16-18(17-29-8-10-31(11-9-29)37(2,33)34)36-23(20)24(28-25)30-12-14-35-15-13-30/h4-7,16H,3,8-15,17H2,1-2H3
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| InChIKey |
NZLCSWCXKHCYFY-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