General Information of the Compound
| Compound ID |
CP0538038
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| Compound Name |
(3,4-dichlorophenyl)-[4-fluoro-4-[[(6-thiophen-2-ylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C23H22Cl2FN3OS
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| Molecular Weight |
478.42
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| Canonical SMILES |
FC1(CNCc2cccc(n2)-c2cccs2)CCN(CC1)C(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C23H22Cl2FN3OS/c24-18-7-6-16(13-19(18)25)22(30)29-10-8-23(26,9-11-29)15-27-14-17-3-1-4-20(28-17)21-5-2-12-31-21/h1-7,12-13,27H,8-11,14-15H2
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| InChIKey |
ADGCARVTPQCUGH-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