General Information of the Compound
| Compound ID |
CP0562329
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| Compound Name |
1-(3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)-3-(2,3,4-trifluorophenyl)urea
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| Structure |
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| Formula |
C21H23F3N2O
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| Molecular Weight |
376.422
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| Canonical SMILES |
Fc1ccc(NC(=O)NC2C3CC4C5CC6CC4C2C(C6)C5C3)c(F)c1F
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| InChI |
InChI=1S/C21H23F3N2O/c22-15-1-2-16(19(24)18(15)23)25-21(27)26-20-9-6-11-10-3-8-4-13(11)17(20)14(5-8)12(10)7-9/h1-2,8-14,17,20H,3-7H2,(H2,25,26,27)
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| InChIKey |
FLJJJURHPHFJLH-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