General Information of the Compound
| Compound ID |
CP0402571
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| Compound Name |
9-Chloro-2-furan-2-yl-6-propyl-6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
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| Structure |
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| Formula |
C16H13ClN4O2
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| Molecular Weight |
328.759
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| Canonical SMILES |
CCCn1c2ccc(Cl)cc2c2nc(nn2c1=O)-c1ccco1
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| InChI |
InChI=1S/C16H13ClN4O2/c1-2-7-20-12-6-5-10(17)9-11(12)15-18-14(13-4-3-8-23-13)19-21(15)16(20)22/h3-6,8-9H,2,7H2,1H3
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| InChIKey |
DCQBBFVVPPBJRT-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