General Information of the Compound
| Compound ID |
CP0409868
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| Compound Name |
1-(Benzo[d][1,3]dioxole-6-carbonyl)-3-(3-phenylphenyl)urea
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| Structure |
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| Formula |
C21H16N2O4
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| Molecular Weight |
360.369
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| Canonical SMILES |
O=C(NC(=O)c1ccc2OCOc2c1)Nc1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C21H16N2O4/c24-20(16-9-10-18-19(12-16)27-13-26-18)23-21(25)22-17-8-4-7-15(11-17)14-5-2-1-3-6-14/h1-12H,13H2,(H2,22,23,24,25)
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| InChIKey |
AANWVQVQZDEWDD-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