General Information of the Compound
| Compound ID |
CP0536636
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| Compound Name |
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-methylthieno[3,2-b]pyridin-7-yl)urea
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| Structure |
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| Formula |
C23H28N4O2S
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| Molecular Weight |
424.57
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| Canonical SMILES |
Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1
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| InChI |
InChI=1S/C23H28N4O2S/c1-17-15-20(21-19(25-17)7-14-30-21)26-22(28)24-10-13-27-11-8-23(29,9-12-27)16-18-5-3-2-4-6-18/h2-7,14-15,29H,8-13,16H2,1H3,(H2,24,25,26,28)
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| InChIKey |
DHPIFMNXORGQBU-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