General Information of the Compound
| Compound ID |
CP0456652
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| Compound Name |
N-(1,3-benzodioxol-5-ylmethyl)-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]butanamide
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| Structure |
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| Formula |
C19H19N3O7S
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| Molecular Weight |
433.442
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| Canonical SMILES |
O=C(CCCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C19H19N3O7S/c23-18(20-10-12-3-6-15-17(8-12)28-11-27-15)2-1-7-21-30(25,26)13-4-5-14-16(9-13)29-19(24)22-14/h3-6,8-9,21H,1-2,7,10-11H2,(H,20,23)(H,22,24)
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| InChIKey |
ODVMWVHVYYBSRJ-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