General Information of the Compound
| Compound ID |
CP0526659
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| Compound Name |
3-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C23H23ClN4O3S
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| Molecular Weight |
470.982
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| Canonical SMILES |
COc1ccc(Cl)cc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4sc3c2=O)CC1
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| InChI |
InChI=1S/C23H23ClN4O3S/c1-31-18-7-6-15(24)14-17(18)27-11-8-26(9-12-27)10-13-28-22(29)21-20(25-23(28)30)16-4-2-3-5-19(16)32-21/h2-7,14H,8-13H2,1H3,(H,25,30)
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| InChIKey |
CQVOUGAYKKUSBQ-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