General Information of the Compound
| Compound ID |
CP0529713
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| Compound Name |
6-(4-chlorophenyl)-3-[2-[(dimethylamino)methyl]-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C24H23ClN4O4S2
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| Molecular Weight |
531.059
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| Canonical SMILES |
CN(C)CC1CN(c2cc(ccc2O1)-n1cnc2cc(sc2c1=O)-c1ccc(Cl)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H23ClN4O4S2/c1-27(2)12-18-13-29(35(3,31)32)20-10-17(8-9-21(20)33-18)28-14-26-19-11-22(34-23(19)24(28)30)15-4-6-16(25)7-5-15/h4-11,14,18H,12-13H2,1-3H3
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| InChIKey |
RPLIABNAPYWRLH-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