General Information of the Compound
| Compound ID |
CP0335269
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| Compound Name |
N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)pyridin-2-yl]-3-(trifluoromethoxy)benzamide
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| Structure |
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| Formula |
C23H20F3N5O3
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| Molecular Weight |
471.439
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| Canonical SMILES |
FC(F)(F)Oc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
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| InChI |
InChI=1S/C23H20F3N5O3/c24-23(25,26)34-15-3-1-2-14(8-15)20(32)31-18-9-13(4-6-28-18)17-10-16-19(30-17)22(5-7-27-11-22)12-29-21(16)33/h1-4,6,8-10,27,30H,5,7,11-12H2,(H,29,33)(H,28,31,32)
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| InChIKey |
FTVRHNVXLBYVGQ-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