General Information of the Compound
| Compound ID |
CP0418344
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| Compound Name |
4-(dimethylamino)-N-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-[1]benzothiolo[3,2-d]pyrimidin-8-yl]butanamide
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| Structure |
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| Formula |
C29H36N6O4S
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| Molecular Weight |
564.712
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| Canonical SMILES |
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCN(C)C)ccc4sc3c2=O)CC1
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| InChI |
InChI=1S/C29H36N6O4S/c1-32(2)12-6-9-25(36)30-20-10-11-24-21(19-20)26-27(40-24)28(37)35(29(38)31-26)18-15-33-13-16-34(17-14-33)22-7-4-5-8-23(22)39-3/h4-5,7-8,10-11,19H,6,9,12-18H2,1-3H3,(H,30,36)(H,31,38)
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| InChIKey |
NTCOZURJKJMLEZ-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