General Information of the Compound
| Compound ID |
CP0535495
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| Compound Name |
2,4-dichloro-N-((4-(cyclopropylmethyl)-1-(4-methyl-4H-1,2,4-triazol-3-ylsulfonyl)piperidin-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C20H25Cl2N5O3S
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| Molecular Weight |
486.425
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| Canonical SMILES |
Cn1cnnc1S(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1
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| InChI |
InChI=1S/C20H25Cl2N5O3S/c1-26-13-24-25-19(26)31(29,30)27-8-6-20(7-9-27,11-14-2-3-14)12-23-18(28)16-5-4-15(21)10-17(16)22/h4-5,10,13-14H,2-3,6-9,11-12H2,1H3,(H,23,28)
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| InChIKey |
YBIOJEOFNOIMNL-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