General Information of the Compound
| Compound ID |
CP0572682
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| Compound Name |
N-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-(trifluoromethyl)phenyl]-2-(4-propan-2-yl-1,4-diazepan-1-yl)acetamide
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| Structure |
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| Formula |
C26H39F3N4O2
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| Molecular Weight |
496.618
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| Canonical SMILES |
CC(C)N1CCCN(CC(=O)Nc2ccc(OC3CCN(CC3)C3CCC3)cc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C26H39F3N4O2/c1-19(2)32-12-4-11-31(15-16-32)18-25(34)30-24-8-7-22(17-23(24)26(27,28)29)35-21-9-13-33(14-10-21)20-5-3-6-20/h7-8,17,19-21H,3-6,9-16,18H2,1-2H3,(H,30,34)
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| InChIKey |
CDBBTVHHUSLXBU-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