General Information of the Compound
| Compound ID |
CP0385482
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| Compound Name |
1-quinazolin-4-ylsulfanylcyclobutane-1-carboxylic acid
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| Structure |
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| Formula |
C13H12N2O2S
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| Molecular Weight |
260.318
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| Canonical SMILES |
OC(=O)C1(CCC1)Sc1ncnc2ccccc12
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| InChI |
InChI=1S/C13H12N2O2S/c16-12(17)13(6-3-7-13)18-11-9-4-1-2-5-10(9)14-8-15-11/h1-2,4-5,8H,3,6-7H2,(H,16,17)
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| InChIKey |
VCCMVYAZLPVESS-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