General Information of the Compound
| Compound ID |
CP0354704
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| Compound Name |
1-[[7-[5-chloro-2-[(3-fluoroazetidin-3-yl)methoxy]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
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| Structure |
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| Formula |
C23H21ClFN3O3S
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| Molecular Weight |
473.957
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| Canonical SMILES |
Cc1cc(Cl)cc(c1OCC1(F)CNC1)-c1ccnc2cc(CN3C(=O)CCC3=O)sc12
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| InChI |
InChI=1S/C23H21ClFN3O3S/c1-13-6-14(24)7-17(21(13)31-12-23(25)10-26-11-23)16-4-5-27-18-8-15(32-22(16)18)9-28-19(29)2-3-20(28)30/h4-8,26H,2-3,9-12H2,1H3
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| InChIKey |
LBPLUUDMTWXBMU-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