General Information of the Compound
| Compound ID |
CP0275367
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| Compound Name |
4-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-pyrrolidine]-2-yl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C22H20FN5O2
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| Molecular Weight |
405.433
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O
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| InChI |
InChI=1S/C22H20FN5O2/c23-15-3-1-13(2-4-15)20(29)28-18-9-14(5-7-25-18)17-10-16-19(27-17)22(6-8-24-11-22)12-26-21(16)30/h1-5,7,9-10,24,27H,6,8,11-12H2,(H,26,30)(H,25,28,29)
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| InChIKey |
WAHGXXOQYXBZOI-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