General Information of the Compound
| Compound ID |
CP0355177
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| Compound Name |
N-[2-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H18F3N3O
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| Molecular Weight |
409.411
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCCc1cccc(c1)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C23H18F3N3O/c24-23(25,26)20-6-2-5-18(13-20)22(30)28-9-7-15-3-1-4-16(11-15)19-12-17-8-10-27-21(17)29-14-19/h1-6,8,10-14H,7,9H2,(H,27,29)(H,28,30)
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| InChIKey |
DGMRBKNFUGWGID-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