General Information of the Compound
| Compound ID |
CP0504374
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| Compound Name |
2,4-dichloro-N-((1-(cyclopropylmethylsulfonyl)-4-(3-fluoropyridin-2-yl)piperidin-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C22H24Cl2FN3O3S
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| Molecular Weight |
500.423
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| Canonical SMILES |
Fc1cccnc1C1(CNC(=O)c2ccc(Cl)cc2Cl)CCN(CC1)S(=O)(=O)CC1CC1
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| InChI |
InChI=1S/C22H24Cl2FN3O3S/c23-16-5-6-17(18(24)12-16)21(29)27-14-22(20-19(25)2-1-9-26-20)7-10-28(11-8-22)32(30,31)13-15-3-4-15/h1-2,5-6,9,12,15H,3-4,7-8,10-11,13-14H2,(H,27,29)
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| InChIKey |
DZOYUTVNBRSSFW-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