General Information of the Compound
| Compound ID |
CP0372889
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| Compound Name |
5-methoxy-N-[2-(pyridin-2-ylmethylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
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| Structure |
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| Formula |
C30H26F3N3O2
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| Molecular Weight |
517.551
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| Canonical SMILES |
COc1ccc(-c2ccc(cc2)C(F)(F)F)c(c1)C(=O)Nc1ccc2CC(Cc2c1)NCc1ccccn1
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| InChI |
InChI=1S/C30H26F3N3O2/c1-38-26-11-12-27(19-5-8-22(9-6-19)30(31,32)33)28(17-26)29(37)36-23-10-7-20-14-25(16-21(20)15-23)35-18-24-4-2-3-13-34-24/h2-13,15,17,25,35H,14,16,18H2,1H3,(H,36,37)
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| InChIKey |
FZGJOQIUVBVNBJ-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