General Information of the Compound
| Compound ID |
CP0416419
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| Compound Name |
1-(4-(Morpholin-4-yl)butyl)-3-(4-pyridin-3-ylphenyl)urea
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| Structure |
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| Formula |
C20H26N4O2
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| Molecular Weight |
354.454
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| Canonical SMILES |
O=C(NCCCCN1CCOCC1)Nc1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C20H26N4O2/c25-20(22-10-1-2-11-24-12-14-26-15-13-24)23-19-7-5-17(6-8-19)18-4-3-9-21-16-18/h3-9,16H,1-2,10-15H2,(H2,22,23,25)
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| InChIKey |
OQMLFRFUQKKZIX-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