General Information of the Compound
| Compound ID |
CP0333018
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| Compound Name |
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(1-methyl-1H-1,2,3-triazol-4-ylsulfonyl)piperidin-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C21H21Cl2FN6O3S
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| Molecular Weight |
527.409
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| Canonical SMILES |
Cn1cc(nn1)S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ncccc1F
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| InChI |
InChI=1S/C21H21Cl2FN6O3S/c1-29-12-18(27-28-29)34(32,33)30-9-6-21(7-10-30,19-17(24)3-2-8-25-19)13-26-20(31)15-5-4-14(22)11-16(15)23/h2-5,8,11-12H,6-7,9-10,13H2,1H3,(H,26,31)
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| InChIKey |
WFJSYNMBPNICIS-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