General Information of the Compound
| Compound ID |
CP0517115
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| Compound Name |
2,4-dichloro-N-((3-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-1,2,3-triazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
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| Structure |
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| Formula |
C19H17Cl2FN6O3S
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| Molecular Weight |
499.355
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| Canonical SMILES |
Cn1cc(nn1)S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(C1)c1ncccc1F
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| InChI |
InChI=1S/C19H17Cl2FN6O3S/c1-27-8-16(25-26-27)32(30,31)28-10-19(11-28,17-15(22)3-2-6-23-17)9-24-18(29)13-5-4-12(20)7-14(13)21/h2-8H,9-11H2,1H3,(H,24,29)
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| InChIKey |
WAXBCNOZDSBPAE-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