General Information of the Compound
| Compound ID |
CP0430165
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| Compound Name |
TENATOPRAZOLE
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| Structure |
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| Formula |
C16H18N4O3S
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| Molecular Weight |
346.412
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| Canonical SMILES |
COc1ccc2[nH]c(nc2n1)S(=O)Cc1ncc(C)c(OC)c1C
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| InChI |
InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
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| InChIKey |
ZBFDAUIVDSSISP-UHFFFAOYSA-N
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| CAS |
113712-98-4
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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: PT02089, Cytosolic endo-beta-N-acetylglucosaminidase
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT06300, Indoleamine 2,3-dioxygenase 2
Protein ID: PT06480, NAD(+) hydrolase SARM1