General Information of the Compound
| Compound ID |
CP0280217
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| Compound Name |
2-[(1-butyl-3,4-dihydro-2H-naphthalen-1-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 |
C27H29F3N2O4
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| Molecular Weight |
502.533
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| Canonical SMILES |
CCCCC1(CC(O)(C(=O)Nc2ccc3c(c2)c(C)noc3=O)C(F)(F)F)CCCc2ccccc12
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| InChI |
InChI=1S/C27H29F3N2O4/c1-3-4-13-25(14-7-9-18-8-5-6-10-22(18)25)16-26(35,27(28,29)30)24(34)31-19-11-12-20-21(15-19)17(2)32-36-23(20)33/h5-6,8,10-12,15,35H,3-4,7,9,13-14,16H2,1-2H3,(H,31,34)
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| InChIKey |
JTDWYOADUDFXCS-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