General Information of the Compound
| Compound ID |
CP0423882
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| Compound Name |
N-methyl-N-[(1R,3S)-3-[[5-methyl-3-[(1-methylazetidin-3-yl)methyl]imidazol-4-yl]carbamoyl]cyclohexyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C25H32F3N5O2
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| Molecular Weight |
491.558
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| Canonical SMILES |
CN([C@@H]1CCC[C@@H](C1)C(=O)Nc1c(C)ncn1CC1CN(C)C1)C(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H32F3N5O2/c1-16-22(33(15-29-16)14-17-12-31(2)13-17)30-23(34)18-6-5-9-21(11-18)32(3)24(35)19-7-4-8-20(10-19)25(26,27)28/h4,7-8,10,15,17-18,21H,5-6,9,11-14H2,1-3H3,(H,30,34)/t18-,21+/m0/s1
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| InChIKey |
WVFSHBIHHZYBID-GHTZIAJQSA-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