General Information of the Compound
| Compound ID |
CP0498646
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| Compound Name |
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(5-ethylthieno[3,2-b]pyridin-7-yl)urea
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| Structure |
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| Formula |
C24H30N4O2S
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| Molecular Weight |
438.597
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| Canonical SMILES |
CCc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2sccc2n1
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| InChI |
InChI=1S/C24H30N4O2S/c1-2-19-16-21(22-20(26-19)8-15-31-22)27-23(29)25-11-14-28-12-9-24(30,10-13-28)17-18-6-4-3-5-7-18/h3-8,15-16,30H,2,9-14,17H2,1H3,(H2,25,26,27,29)
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| InChIKey |
TWUBDXFVCTXQSQ-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