General Information of the Compound
| Compound ID |
CP0261677
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| Compound Name |
5-amino-1-[3,5-dichloro-4-(4-chlorobenzoyl)benzyl]triazole-4-carboxamide
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| Synonyms |
Carboxyamidotriazole (CAI)
L-651582
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| Structure |
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| Formula |
C17H12Cl3N5O2
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| Molecular Weight |
424.675
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| Canonical SMILES |
NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N
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| InChI |
InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)
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| InChIKey |
WNRZHQBJSXRYJK-UHFFFAOYSA-N
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| CAS |
99519-84-3
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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