General Information of the Compound
| Compound ID |
CP0547455
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| Compound Name |
2-[[cyclopropyl(methyl)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 |
C17H21N5OS
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| Molecular Weight |
343.456
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| Canonical SMILES |
CCCn1c2nn(CN(C)C3CC3)c(=S)n2c2ccccc2c1=O
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| InChI |
InChI=1S/C17H21N5OS/c1-3-10-20-15(23)13-6-4-5-7-14(13)22-16(20)18-21(17(22)24)11-19(2)12-8-9-12/h4-7,12H,3,8-11H2,1-2H3
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| InChIKey |
NJIIJHDNOJRNIC-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