General Information of the Compound
| Compound ID |
CP0451708
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| Compound Name |
3-(2-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-1-benzofuran-5-yl)-6-(4-methylphenyl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C27H24ClN3O3S
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| Molecular Weight |
506.027
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| Canonical SMILES |
COC[C@H]1CCCN1Cc1cc2cc(ccc2o1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H24ClN3O3S/c1-33-15-21-3-2-10-30(21)14-22-12-18-11-20(8-9-24(18)34-22)31-16-29-23-13-25(35-26(23)27(31)32)17-4-6-19(28)7-5-17/h4-9,11-13,16,21H,2-3,10,14-15H2,1H3/t21-/m1/s1
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| InChIKey |
MTAKKFFTZMEHRX-OAQYLSRUSA-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