General Information of the Compound
| Compound ID |
CP0222010
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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]pyridine-2-carboxamide
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
O=C(Nc1cc(ccn1)-c1cc2c([nH]1)C1(CCNCC1)CNC2=O)c1ccccn1
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| InChI |
InChI=1S/C22H22N6O2/c29-20-15-12-17(27-19(15)22(13-26-20)5-9-23-10-6-22)14-4-8-25-18(11-14)28-21(30)16-3-1-2-7-24-16/h1-4,7-8,11-12,23,27H,5-6,9-10,13H2,(H,26,29)(H,25,28,30)
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| InChIKey |
WKBRFCZMWWOFLS-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