General Information of the Compound
| Compound ID |
CP0497463
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| Compound Name |
1-(4-Piperidin-1-yl)butyl-3-(4-pyridin-3-ylphenyl)urea
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
O=C(NCCCCN1CCCCC1)Nc1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C21H28N4O/c26-21(23-13-2-5-16-25-14-3-1-4-15-25)24-20-10-8-18(9-11-20)19-7-6-12-22-17-19/h6-12,17H,1-5,13-16H2,(H2,23,24,26)
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| InChIKey |
VQCSQLSSMLSFLL-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