General Information of the Compound
| Compound ID |
CP0510966
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| Compound Name |
4-(4-chlorophenyl)-5-cyano-2H-1,2,3-triazole
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| Synonyms |
4-(4-chlorophenyl)-5-cyano-2H-1,2,3-triazole
5-(4-CHLORO-PHENYL)-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE
50710-06-0
ACM50710060
AKOS015967718
BDBM50200758
CHEMBL393014
CTK1G7781
FCH1390661
SCHEMBL17969183
ZINC22004877
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| Structure |
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| Formula |
C9H5ClN4
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| Molecular Weight |
204.62
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| Canonical SMILES |
Clc1ccc(cc1)-c1nn[nH]c1C#N
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| InChI |
InChI=1S/C9H5ClN4/c10-7-3-1-6(2-4-7)9-8(5-11)12-14-13-9/h1-4H,(H,12,13,14)
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| InChIKey |
KBDVIKMDRWVMPM-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
Clinical Information about the Compound