General Information of the Compound
| Compound ID |
CP0577669
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| Compound Name |
1-[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]pyrrolo[3,2-b]pyridine
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| Structure |
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| Formula |
C12H6ClF3N4
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| Molecular Weight |
298.655
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| Canonical SMILES |
FC(F)(F)c1cnc(nc1Cl)-n1ccc2ncccc12
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| InChI |
InChI=1S/C12H6ClF3N4/c13-10-7(12(14,15)16)6-18-11(19-10)20-5-3-8-9(20)2-1-4-17-8/h1-6H
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| InChIKey |
IZZXTXGSIDXPGI-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