General Information of the Compound
| Compound ID |
CP0386390
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| Compound Name |
N-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-8-yl]benzamide
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| Structure |
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| Formula |
C31H31N5O3S
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| Molecular Weight |
553.688
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| Canonical SMILES |
COc1ccccc1N1CCN(CCn2c(C)nc3c4cc(NC(=O)c5ccccc5)ccc4sc3c2=O)CC1
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| InChI |
InChI=1S/C31H31N5O3S/c1-21-32-28-24-20-23(33-30(37)22-8-4-3-5-9-22)12-13-27(24)40-29(28)31(38)36(21)19-16-34-14-17-35(18-15-34)25-10-6-7-11-26(25)39-2/h3-13,20H,14-19H2,1-2H3,(H,33,37)
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| InChIKey |
HBKDXPFFGLQBAS-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