General Information of the Compound
| Compound ID |
CP0465169
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| Compound Name |
1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
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| Structure |
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| Formula |
C23H30F3N3O2
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| Molecular Weight |
437.506
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1ccc(OC(F)(F)F)cc1)=CC2
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| InChI |
InChI=1S/C23H30F3N3O2/c1-22(2)16-4-3-15(20(22)13-16)14-29-11-9-18(10-12-29)28-21(30)27-17-5-7-19(8-6-17)31-23(24,25)26/h3,5-8,16,18,20H,4,9-14H2,1-2H3,(H2,27,28,30)/t16-,20-/m0/s1
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| InChIKey |
MFPBGQALPRVWRX-JXFKEZNVSA-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