General Information of the Compound
| Compound ID |
CP0313245
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| Compound Name |
1-(1-adamantyl)-3-(2,3,4-trifluorophenyl)urea
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| Structure |
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| Formula |
C17H19F3N2O
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| Molecular Weight |
324.346
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| Canonical SMILES |
Fc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1F
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| InChI |
InChI=1S/C17H19F3N2O/c18-12-1-2-13(15(20)14(12)19)21-16(23)22-17-6-9-3-10(7-17)5-11(4-9)8-17/h1-2,9-11H,3-8H2,(H2,21,22,23)
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| InChIKey |
PYDHHHKUANVSJV-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