General Information of the Compound
| Compound ID |
CP0386391
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| Compound Name |
N-[3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,4-dioxo-1H-[1]benzothiolo[3,2-d]pyrimidin-8-yl]-5-phenylpentanamide
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| Structure |
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| Formula |
C34H37N5O4S
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| Molecular Weight |
611.768
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| Canonical SMILES |
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCCc5ccccc5)ccc4sc3c2=O)CC1
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| InChI |
InChI=1S/C34H37N5O4S/c1-43-28-13-7-6-12-27(28)38-20-17-37(18-21-38)19-22-39-33(41)32-31(36-34(39)42)26-23-25(15-16-29(26)44-32)35-30(40)14-8-5-11-24-9-3-2-4-10-24/h2-4,6-7,9-10,12-13,15-16,23H,5,8,11,14,17-22H2,1H3,(H,35,40)(H,36,42)
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| InChIKey |
VZCKRSFEOTUZRB-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