General Information of the Compound
| Compound ID |
CP0442302
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| Compound Name |
3-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H20Cl2N4O2S
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| Molecular Weight |
475.401
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| Canonical SMILES |
Clc1ccc(cc1Cl)N1CCN(CCn2c(=O)[nH]c3c4ccccc4sc3c2=O)CC1
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| InChI |
InChI=1S/C22H20Cl2N4O2S/c23-16-6-5-14(13-17(16)24)27-10-7-26(8-11-27)9-12-28-21(29)20-19(25-22(28)30)15-3-1-2-4-18(15)31-20/h1-6,13H,7-12H2,(H,25,30)
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| InChIKey |
CLMAYMICDQACRV-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor