General Information of the Compound
| Compound ID |
CP0494102
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| Compound Name |
3,5-dichloro-N-(3-(4-((6-chloropyridin-2-yloxy)(4-(methylsulfonyl)phenyl)methyl)piperidin-1-yl)butyl)isonicotinamide
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| Structure |
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| Formula |
C28H31Cl3N4O4S
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| Molecular Weight |
626.006
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| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)n1)c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C28H31Cl3N4O4S/c1-18(10-13-33-28(36)26-22(29)16-32-17-23(26)30)35-14-11-20(12-15-35)27(39-25-5-3-4-24(31)34-25)19-6-8-21(9-7-19)40(2,37)38/h3-9,16-18,20,27H,10-15H2,1-2H3,(H,33,36)
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| InChIKey |
GWAWCEXQGCBEJE-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