General Information of the Compound
| Compound ID |
CP0534763
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| Compound Name |
1-(1,3-benzoxazol-2-yl)-3-(4-phenylbutyl)urea
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| Structure |
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| Formula |
C18H19N3O2
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| Molecular Weight |
309.369
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| Canonical SMILES |
O=C(NCCCCc1ccccc1)Nc1nc2ccccc2o1
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| InChI |
InChI=1S/C18H19N3O2/c22-17(19-13-7-6-10-14-8-2-1-3-9-14)21-18-20-15-11-4-5-12-16(15)23-18/h1-5,8-9,11-12H,6-7,10,13H2,(H2,19,20,21,22)
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| InChIKey |
MYSPJTDSOBEXDR-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