General Information of the Compound
| Compound ID |
CP0476336
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| Compound Name |
N-[2-[[1-[1-(1,3-benzodioxol-5-yl)piperidin-4-yl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C25H27F3N4O4
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| Molecular Weight |
504.509
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)C1CCN(CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H27F3N4O4/c26-25(27,28)17-3-1-2-16(10-17)24(34)29-12-23(33)30-18-13-32(14-18)19-6-8-31(9-7-19)20-4-5-21-22(11-20)36-15-35-21/h1-5,10-11,18-19H,6-9,12-15H2,(H,29,34)(H,30,33)
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| InChIKey |
XOWSJOWUNKXCJR-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