General Information of the Compound
| Compound ID |
CP0473588
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| Compound Name |
N-[2-[[1-[4-(1,3-benzodioxol-5-yl)cyclohex-3-en-1-yl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C26H26F3N3O4
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| Molecular Weight |
501.505
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)C1CCC(=CC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H26F3N3O4/c27-26(28,29)19-3-1-2-18(10-19)25(34)30-12-24(33)31-20-13-32(14-20)21-7-4-16(5-8-21)17-6-9-22-23(11-17)36-15-35-22/h1-4,6,9-11,20-21H,5,7-8,12-15H2,(H,30,34)(H,31,33)
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| InChIKey |
GYICATPFUUQVPD-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