General Information of the Compound
| Compound ID |
CP0449380
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| Compound Name |
2-[(5-ethyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methyl]-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
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| Structure |
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| Formula |
C26H27F3N2O4
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| Molecular Weight |
488.506
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| Canonical SMILES |
CCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCCc2ccccc12
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| InChI |
InChI=1S/C26H27F3N2O4/c1-3-24(13-7-6-9-17-8-4-5-10-21(17)24)15-25(34,26(27,28)29)23(33)30-18-11-12-19-20(14-18)16(2)31-35-22(19)32/h4-5,8,10-12,14,34H,3,6-7,9,13,15H2,1-2H3,(H,30,33)
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| InChIKey |
NVONLYUUKCINFL-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