General Information of the Compound
| Compound ID |
CP0539440
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| Compound Name |
4-pyrrolidin-1-yl-2-(trifluoromethyl)quinazoline
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| Structure |
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| Formula |
C13H12F3N3
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| Molecular Weight |
267.254
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| Canonical SMILES |
FC(F)(F)c1nc(N2CCCC2)c2ccccc2n1
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| InChI |
InChI=1S/C13H12F3N3/c14-13(15,16)12-17-10-6-2-1-5-9(10)11(18-12)19-7-3-4-8-19/h1-2,5-6H,3-4,7-8H2
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| InChIKey |
GWBSBAQLXNAFAC-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