General Information of the Compound
| Compound ID |
CP0313656
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| Compound Name |
2-(1,3-benzodioxol-5-yloxy)-N-(1H-pyrazol-5-yl)-N-(thiophen-2-ylmethyl)acetamide
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| Structure |
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| Formula |
C17H15N3O4S
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| Molecular Weight |
357.391
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| Canonical SMILES |
O=C(COc1ccc2OCOc2c1)N(Cc1cccs1)c1ccn[nH]1
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| InChI |
InChI=1S/C17H15N3O4S/c21-17(10-22-12-3-4-14-15(8-12)24-11-23-14)20(16-5-6-18-19-16)9-13-2-1-7-25-13/h1-8H,9-11H2,(H,18,19)
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| InChIKey |
DMRQUYUWMPGIJT-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