General Information of the Compound
| Compound ID |
CP0425854
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| Compound Name |
2-[[methyl(propyl)amino]methyl]-4-propyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Structure |
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| Formula |
C17H23N5OS
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| Molecular Weight |
345.472
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| Canonical SMILES |
CCCN(C)Cn1nc2n(CCC)c(=O)c3ccccc3n2c1=S
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| InChI |
InChI=1S/C17H23N5OS/c1-4-10-19(3)12-21-17(24)22-14-9-7-6-8-13(14)15(23)20(11-5-2)16(22)18-21/h6-9H,4-5,10-12H2,1-3H3
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| InChIKey |
WIZPROBUTYPMHD-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