General Information of the Compound
| Compound ID |
CP0652442
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| Compound Name |
SID50106787
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| Synonyms |
HOB-294
Oxybutynin hydrochloride
Oxybutynin hydrochloride (transdermal patch, overactive bladder)
Oxybutynin hydrochloride (transdermal patch, overactive bladder), Hisamitsu
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| Structure |
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| Formula |
C22H32ClNO3
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| Molecular Weight |
393.955
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| Canonical SMILES |
CCN(CC)CC#CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.Cl
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| InChI |
InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H
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| InChIKey |
SWIJYDAEGSIQPZ-UHFFFAOYSA-N
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| CAS |
1508-65-2
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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: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound