General Information of the Compound
| Compound ID |
CP0440161
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| Compound Name |
3-methoxy-4-[4-[4-(3-methoxypyridin-2-yl)piperidin-1-yl]azepan-1-yl]-1,2,5-thiadiazole
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| Structure |
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| Formula |
C20H29N5O2S
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| Molecular Weight |
403.552
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| Canonical SMILES |
COc1nsnc1N1CCCC(CC1)N1CCC(CC1)c1ncccc1OC
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| InChI |
InChI=1S/C20H29N5O2S/c1-26-17-6-3-10-21-18(17)15-7-12-24(13-8-15)16-5-4-11-25(14-9-16)19-20(27-2)23-28-22-19/h3,6,10,15-16H,4-5,7-9,11-14H2,1-2H3
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| InChIKey |
WGKWRFGRGRYEAO-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