General Information of the Compound
| Compound ID |
CP0399835
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| Compound Name |
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(pyridin-3-ylsulfonyl)piperidin-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C23H21Cl2FN4O3S
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| Molecular Weight |
523.417
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| Canonical SMILES |
Fc1cccnc1C1(CNC(=O)c2ccc(Cl)cc2Cl)CCN(CC1)S(=O)(=O)c1cccnc1
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| InChI |
InChI=1S/C23H21Cl2FN4O3S/c24-16-5-6-18(19(25)13-16)22(31)29-15-23(21-20(26)4-2-10-28-21)7-11-30(12-8-23)34(32,33)17-3-1-9-27-14-17/h1-6,9-10,13-14H,7-8,11-12,15H2,(H,29,31)
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| InChIKey |
ZPNPSZYIFSSROO-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