General Information of the Compound
| Compound ID |
CP0388624
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| Compound Name |
2-(Pyridin-3-yl)-4-(2-methylbenzo[d]thiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C19H11N3S
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| Molecular Weight |
313.385
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| Canonical SMILES |
N#Cc1cc(ccc1-c1cccnc1)-c1ccc2scnc2c1
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| InChI |
InChI=1S/C19H11N3S/c20-10-16-8-13(3-5-17(16)15-2-1-7-21-11-15)14-4-6-19-18(9-14)22-12-23-19/h1-9,11-12H
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| InChIKey |
YINRDLFCSLEOLX-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