General Information of the Compound
| Compound ID |
CP0222008
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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]pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H20N6O2
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| Molecular Weight |
388.431
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| Canonical SMILES |
O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNC1)CNC2=O)c1ccccn1
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| InChI |
InChI=1S/C21H20N6O2/c28-19-14-10-16(26-18(14)21(12-25-19)5-8-22-11-21)13-4-7-24-17(9-13)27-20(29)15-3-1-2-6-23-15/h1-4,6-7,9-10,22,26H,5,8,11-12H2,(H,25,28)(H,24,27,29)
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| InChIKey |
KUHJGHADZLHBNB-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