General Information of the Compound
| Compound ID |
CP0383633
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| Compound Name |
2-Phenyl-4-(2-methylbenzo[d]thiazol-5-yl)benzonitrile
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| Structure |
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| Formula |
C20H12N2S
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| Molecular Weight |
312.397
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| Canonical SMILES |
N#Cc1cc(ccc1-c1ccccc1)-c1ccc2scnc2c1
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| InChI |
InChI=1S/C20H12N2S/c21-12-17-10-15(6-8-18(17)14-4-2-1-3-5-14)16-7-9-20-19(11-16)22-13-23-20/h1-11,13H
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| InChIKey |
JZWOETATNMCUMV-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