General Information of the Compound
| Compound ID |
CP0418341
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| Compound Name |
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-[1]benzothiolo[3,2-d]pyrimidin-4-one
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| Structure |
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| Formula |
C24H26N4O2S
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| Molecular Weight |
434.565
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| Canonical SMILES |
COc1ccccc1N1CCN(CCn2c(C)nc3c4ccccc4sc3c2=O)CC1
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| InChI |
InChI=1S/C24H26N4O2S/c1-17-25-22-18-7-3-6-10-21(18)31-23(22)24(29)28(17)16-13-26-11-14-27(15-12-26)19-8-4-5-9-20(19)30-2/h3-10H,11-16H2,1-2H3
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| InChIKey |
KRIXMAGTZZHFLF-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