General Information of the Compound
| Compound ID |
CP0536637
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| Compound Name |
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-thieno[2,3-b]pyridin-4-ylurea
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| Structure |
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
OC1(Cc2ccccc2)CCN(CCNC(=O)Nc2ccnc3sccc23)CC1
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| InChI |
InChI=1S/C22H26N4O2S/c27-21(25-19-6-10-23-20-18(19)7-15-29-20)24-11-14-26-12-8-22(28,9-13-26)16-17-4-2-1-3-5-17/h1-7,10,15,28H,8-9,11-14,16H2,(H2,23,24,25,27)
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| InChIKey |
LMEMKODWSUDKDV-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