General Information of the Compound
| Compound ID |
CP0383338
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| Compound Name |
N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
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| Structure |
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| Formula |
C18H13N3O3S
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| Molecular Weight |
351.387
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| Canonical SMILES |
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1
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| InChI |
InChI=1S/C18H13N3O3S/c22-15(20-18-19-13-7-3-4-8-14(13)25-18)9-10-21-16(23)11-5-1-2-6-12(11)17(21)24/h1-8H,9-10H2,(H,19,20,22)
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| InChIKey |
ULXHINOEZKZYNA-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: PT00862, Adenosine receptor A2a
Protein ID: PT06109, Geminin