General Information of the Compound
| Compound ID |
CP0572086
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| Compound Name |
1-(1-adamantyl)-3-[[4-(trifluoromethyl)benzoyl]amino]urea
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| Formula |
C19H22F3N3O2
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| Molecular Weight |
381.398
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)NNC(=O)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C19H22F3N3O2/c20-19(21,22)15-3-1-14(2-4-15)16(26)24-25-17(27)23-18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,24,26)(H2,23,25,27)
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| InChIKey |
OTMWPBGSJXZOIA-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