General Information of the Compound
| Compound ID |
CP0268227
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| Compound Name |
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyridin-2-yl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H22F3N5O2
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| Molecular Weight |
469.467
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
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| InChI |
InChI=1S/C24H22F3N5O2/c25-24(26,27)16-3-1-14(2-4-16)21(33)32-19-11-15(5-8-29-19)18-12-17-20(31-18)23(13-30-22(17)34)6-9-28-10-7-23/h1-5,8,11-12,28,31H,6-7,9-10,13H2,(H,30,34)(H,29,32,33)
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| InChIKey |
ADSKPKMUCXKPLL-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