General Information of the Compound
| Compound ID |
CP0534544
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| Compound Name |
2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
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| Structure |
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| Formula |
C30H22F4N4O
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| Molecular Weight |
530.525
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| Canonical SMILES |
NC(C(=O)NCc1ccc(cc1)-c1ccc(F)c(c1)C(F)(F)F)c1ccc(cc1)-c1ccc2cccnc2n1
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| InChI |
InChI=1S/C30H22F4N4O/c31-25-13-11-23(16-24(25)30(32,33)34)19-5-3-18(4-6-19)17-37-29(39)27(35)21-9-7-20(8-10-21)26-14-12-22-2-1-15-36-28(22)38-26/h1-16,27H,17,35H2,(H,37,39)
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| InChIKey |
UEYIAZBJXOAPRD-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