General Information of the Compound
| Compound ID |
CP0421576
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| Compound Name |
1-(3,7-dimethyl-1-tricyclo[3.3.0.03,7]octanyl)-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 |
CC12CC3CC1(C)CC3(C2)NC(=O)Nc1ccc(F)c(F)c1F
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| InChI |
InChI=1S/C17H19F3N2O/c1-15-5-9-6-16(15,2)8-17(9,7-15)22-14(23)21-11-4-3-10(18)12(19)13(11)20/h3-4,9H,5-8H2,1-2H3,(H2,21,22,23)
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| InChIKey |
SFMVLURMHDIRFS-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