General Information of the Compound
| Compound ID |
CP0420782
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]propanamide
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| Structure |
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| Formula |
C18H17N3O7S
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| Molecular Weight |
419.415
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| Canonical SMILES |
O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C18H17N3O7S/c22-17(19-9-11-1-4-14-16(7-11)27-10-26-14)5-6-20-29(24,25)12-2-3-13-15(8-12)28-18(23)21-13/h1-4,7-8,20H,5-6,9-10H2,(H,19,22)(H,21,23)
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| InChIKey |
KSIQGXZWXVTWAY-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