General Information of the Compound
| Compound ID |
CP0061180
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| Compound Name |
N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-2-(3-iodophenyl)acetamide
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| Structure |
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| Formula |
C21H13ClIN5O2
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| Molecular Weight |
529.725
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| Canonical SMILES |
Clc1ccc2nc(NC(=O)Cc3cccc(I)c3)n3nc(nc3c2c1)-c1ccco1
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| InChI |
InChI=1S/C21H13ClIN5O2/c22-13-6-7-16-15(11-13)20-26-19(17-5-2-8-30-17)27-28(20)21(24-16)25-18(29)10-12-3-1-4-14(23)9-12/h1-9,11H,10H2,(H,24,25,29)
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| InChIKey |
NLCXVPPXKXFHNE-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