General Information of the Compound
| Compound ID |
CP0391068
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| Compound Name |
3-{2-[4-(4,5-dichloro-2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-7-methyl-5,6,7,8-tetrahydro-3H-pyrido[4',3a':4,5]thieno[2,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C23H27Cl2N5O2S
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| Molecular Weight |
508.475
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| Canonical SMILES |
COc1cc(Cl)c(Cl)cc1N1CCN(CCn2cnc3sc4CN(C)CCc4c3c2=O)CC1
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| InChI |
InChI=1S/C23H27Cl2N5O2S/c1-27-4-3-15-20(13-27)33-22-21(15)23(31)30(14-26-22)10-7-28-5-8-29(9-6-28)18-11-16(24)17(25)12-19(18)32-2/h11-12,14H,3-10,13H2,1-2H3
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| InChIKey |
PGGSJVILXJSING-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