General Information of the Compound
| Compound ID |
CP0567386
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| Compound Name |
[1-(4-chloro-3-fluorophenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
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| Structure |
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| Formula |
C17H12ClF2N3O
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| Molecular Weight |
347.752
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| Canonical SMILES |
FC1CN(C1)C(=O)c1cc2cccnc2n1-c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C17H12ClF2N3O/c18-13-4-3-12(7-14(13)20)23-15(17(24)22-8-11(19)9-22)6-10-2-1-5-21-16(10)23/h1-7,11H,8-9H2
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| InChIKey |
WLPCDIQHRLBCBZ-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