General Information of the Compound
| Compound ID |
CP0453891
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| Compound Name |
N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-methyl-2-[4-(1,8-naphthyridin-2-yl)phenyl]propanamide
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| Structure |
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| Formula |
C33H27F4N3O
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| Molecular Weight |
557.591
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| Canonical SMILES |
C[C@H](NC(=O)C(C)(C)c1ccc(cc1)-c1ccc2cccnc2n1)c1ccc(cc1)-c1ccc(F)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C33H27F4N3O/c1-20(21-6-8-22(9-7-21)25-12-16-28(34)27(19-25)33(35,36)37)39-31(41)32(2,3)26-14-10-23(11-15-26)29-17-13-24-5-4-18-38-30(24)40-29/h4-20H,1-3H3,(H,39,41)/t20-/m0/s1
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| InChIKey |
ISVZRDQQFCTPRG-FQEVSTJZSA-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