General Information of the Compound
| Compound ID |
CP0521364
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| Compound Name |
4-bromo-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
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| Structure |
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| Formula |
C17H12BrN3O4
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| Molecular Weight |
402.204
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| Canonical SMILES |
Brc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C17H12BrN3O4/c18-12-4-1-10(2-5-12)15(22)19-17-21-20-16(25-17)11-3-6-13-14(9-11)24-8-7-23-13/h1-6,9H,7-8H2,(H,19,21,22)
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| InChIKey |
ZXDCZNWXQFSKGR-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: PT06356, Adenylate cyclase type 1
Protein ID: PT06357, Adenylate cyclase type 8