General Information of the Compound
| Compound ID |
CP0217029
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| Compound Name |
3-fluoro-N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-2-yl)pyridin-2-yl]benzamide
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| Structure |
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| Formula |
C23H22FN5O2
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| Molecular Weight |
419.46
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| Canonical SMILES |
Fc1cccc(c1)C(=O)Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O
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| InChI |
InChI=1S/C23H22FN5O2/c24-16-3-1-2-15(10-16)21(30)29-19-11-14(4-7-26-19)18-12-17-20(28-18)23(13-27-22(17)31)5-8-25-9-6-23/h1-4,7,10-12,25,28H,5-6,8-9,13H2,(H,27,31)(H,26,29,30)
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| InChIKey |
KNKFHJYKSHDVBU-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