General Information of the Compound
| Compound ID |
CP0552603
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| Compound Name |
2-[[cyclopropylmethyl(ethyl)amino]methyl]-4-propyl-1-sulfanylidene-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C19H25N5OS
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| Molecular Weight |
371.51
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| Canonical SMILES |
CCCn1c2nn(CN(CC)CC3CC3)c(=S)n2c2ccccc2c1=O
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| InChI |
InChI=1S/C19H25N5OS/c1-3-11-22-17(25)15-7-5-6-8-16(15)24-18(22)20-23(19(24)26)13-21(4-2)12-14-9-10-14/h5-8,14H,3-4,9-13H2,1-2H3
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| InChIKey |
CNBJMHHTGWDMBW-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