General Information of the Compound
| Compound ID |
CP0371245
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| Compound Name |
3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(1-phenyl-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide
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| Structure |
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| Formula |
C29H25F3N2O4
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| Molecular Weight |
522.523
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| Canonical SMILES |
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCCc4ccccc34)c3ccccc3)C(F)(F)F)cc12
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| InChI |
InChI=1S/C29H25F3N2O4/c1-18-23-16-21(13-14-22(23)25(35)38-34-18)33-26(36)28(37,29(30,31)32)17-27(20-10-3-2-4-11-20)15-7-9-19-8-5-6-12-24(19)27/h2-6,8,10-14,16,37H,7,9,15,17H2,1H3,(H,33,36)
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| InChIKey |
KFYBVRFVPSMIAT-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