General Information of the Compound
| Compound ID |
CP0568460
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| Compound Name |
5-[(1,2-benzothiazol-5-ylamino)methyl]thiophene-2-carbonitrile
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| Formula |
C13H9N3S2
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| Molecular Weight |
271.37
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| Canonical SMILES |
N#Cc1ccc(CNc2ccc3sncc3c2)s1
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| InChI |
InChI=1S/C13H9N3S2/c14-6-11-2-3-12(17-11)8-15-10-1-4-13-9(5-10)7-16-18-13/h1-5,7,15H,8H2
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| InChIKey |
YNQYTBKFYALDND-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