General Information of the Compound
| Compound ID |
CP0394929
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| Compound Name |
Aciphex
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| Structure |
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| Formula |
C18H20N3NaO3S
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| Molecular Weight |
381.433
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| Canonical SMILES |
[Na+].COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C
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| InChI |
InChI=1S/C18H20N3O3S.Na/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;/h3-4,6-9H,5,10-12H2,1-2H3;/q-1;+1
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| InChIKey |
KRCQSTCYZUOBHN-UHFFFAOYSA-N
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| CAS |
117976-90-6
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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: PT04542, Bile salt export pump
Protein ID: PT06109, Geminin