General Information of the Compound
| Compound ID |
CP0508035
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| Compound Name |
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)urea
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
Cn1ccc2c(NC(=O)NCCN3CCC(O)(Cc4ccccc4)CC3)ccnc12
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| InChI |
InChI=1S/C23H29N5O2/c1-27-13-8-19-20(7-11-24-21(19)27)26-22(29)25-12-16-28-14-9-23(30,10-15-28)17-18-5-3-2-4-6-18/h2-8,11,13,30H,9-10,12,14-17H2,1H3,(H2,24,25,26,29)
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| InChIKey |
UEZNKBMUHAOFPO-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