General Information of the Compound
| Compound ID |
CP0571438
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| Compound Name |
2-chloro-5-(2H-triazol-4-ylamino)benzonitrile
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| Structure |
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| Formula |
C9H6ClN5
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| Molecular Weight |
219.635
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| Canonical SMILES |
Clc1ccc(Nc2cn[nH]n2)cc1C#N
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| InChI |
InChI=1S/C9H6ClN5/c10-8-2-1-7(3-6(8)4-11)13-9-5-12-15-14-9/h1-3,5H,(H2,12,13,14,15)
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| InChIKey |
VDYKBQQVTNJBPW-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