General Information of the Compound
| Compound ID |
CP0444274
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| Compound Name |
N-(3,4-dimethoxyphenyl)-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]butanamide
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| Structure |
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| Formula |
C19H21N3O7S
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| Molecular Weight |
435.458
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| Canonical SMILES |
COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC
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| InChI |
InChI=1S/C19H21N3O7S/c1-27-15-8-5-12(10-17(15)28-2)21-18(23)4-3-9-20-30(25,26)13-6-7-14-16(11-13)29-19(24)22-14/h5-8,10-11,20H,3-4,9H2,1-2H3,(H,21,23)(H,22,24)
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| InChIKey |
RGOURZFAYYUSIW-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: PT05210, Alkaline phosphatase, placental type
Protein ID: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Protein ID: PT06212, Intestinal-type alkaline phosphatase