General Information of the Compound
| Compound ID |
CP0339516
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| Compound Name |
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(3-cyanophenoxy)acetamide
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| Structure |
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| Formula |
C22H15N3O2S
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| Molecular Weight |
385.448
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| Canonical SMILES |
O=C(COc1cccc(c1)C#N)Nc1ccc(cc1)-c1nc2ccccc2s1
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| InChI |
InChI=1S/C22H15N3O2S/c23-13-15-4-3-5-18(12-15)27-14-21(26)24-17-10-8-16(9-11-17)22-25-19-6-1-2-7-20(19)28-22/h1-12H,14H2,(H,24,26)
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| InChIKey |
FXXAUNIHWYQRMN-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