General Information of the Compound
| Compound ID |
CP0379753
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| Compound Name |
3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C18H16F3N3O5S
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| Molecular Weight |
443.403
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| Canonical SMILES |
FC(F)(F)c1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1
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| InChI |
InChI=1S/C18H16F3N3O5S/c19-18(20,21)12-3-1-2-11(8-12)10-22-16(25)6-7-23-30(27,28)13-4-5-14-15(9-13)29-17(26)24-14/h1-5,8-9,23H,6-7,10H2,(H,22,25)(H,24,26)
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| InChIKey |
RGWYFCFQCLEFQF-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