General Information of the Compound
| Compound ID |
CP0129471
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| Compound Name |
3-[2-[4-(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 |
C23H24N4O3S
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| Molecular Weight |
436.537
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| Canonical SMILES |
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4ccccc4sc3c2=O)CC1
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| InChI |
InChI=1S/C23H24N4O3S/c1-30-18-8-4-3-7-17(18)26-13-10-25(11-14-26)12-15-27-22(28)21-20(24-23(27)29)16-6-2-5-9-19(16)31-21/h2-9H,10-15H2,1H3,(H,24,29)
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| InChIKey |
NFPVLBNNIZXLMJ-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