General Information of the Compound
| Compound ID |
CP0489199
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| Compound Name |
Hidrasec
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| Synonyms |
Acetorphan
Hidrasec
Racecadotril
Tiorfan
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| Structure |
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| Formula |
C21H23NO4S
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| Molecular Weight |
385.485
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| Canonical SMILES |
CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
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| InChIKey |
ODUOJXZPIYUATO-UHFFFAOYSA-N
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| CAS |
81110-60-3
81110-73-8
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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: PT03222, ATP-binding cassette sub-family C member 3
Protein ID: PT04542, Bile salt export pump
Clinical Information about the Compound