General Information of the Compound
| Compound ID |
CP0504373
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| Compound Name |
2,4-dichloro-N-((3-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-pyrazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
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| Structure |
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| Formula |
C20H18Cl2FN5O3S
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| Molecular Weight |
498.367
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(C1)c1ncccc1F
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| InChI |
InChI=1S/C20H18Cl2FN5O3S/c1-27-9-14(8-26-27)32(30,31)28-11-20(12-28,18-17(23)3-2-6-24-18)10-25-19(29)15-5-4-13(21)7-16(15)22/h2-9H,10-12H2,1H3,(H,25,29)
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| InChIKey |
UHWRJPPBIZCUDS-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