General Information of the Compound
| Compound ID |
CP0565027
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| Compound Name |
4-[2-(4,4-difluorocyclohexyl)ethyl]-7-fluoro-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
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| Formula |
C17H17F3N4OS
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| Molecular Weight |
382.411
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| Canonical SMILES |
Fc1ccc2c(c1)c(=O)n(CCC1CCC(F)(F)CC1)c1n[nH]c(=S)n21
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| InChI |
InChI=1S/C17H17F3N4OS/c18-11-1-2-13-12(9-11)14(25)23(15-21-22-16(26)24(13)15)8-5-10-3-6-17(19,20)7-4-10/h1-2,9-10H,3-8H2,(H,22,26)
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| InChIKey |
SMSXXOCVHDEVRC-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