General Information of the Compound
| Compound ID |
CP0443930
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| Compound Name |
1-[3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenyl]ethanol
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| Structure |
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| Formula |
C20H28N4OS
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| Molecular Weight |
372.538
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| Canonical SMILES |
CC(O)c1cccc(c1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C20H28N4OS/c1-15(25)16-6-5-7-17(14-16)19-21-22-20(26-19)24-12-8-18(9-13-24)23-10-3-2-4-11-23/h5-7,14-15,18,25H,2-4,8-13H2,1H3
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| InChIKey |
XWZKPTHOGJKRDY-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