General Information of the Compound
Compound ID |
CP0506752
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Compound Name |
1-(3-{3-[(dimethylamino)methyl]piperidin-1-yl}propyl)-4-{3-phenylimidazo[1,2-a]pyridin-7-yl}-1,2-dihydropyridin-2-one
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Structure |
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Formula |
C29H35N5O
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Molecular Weight |
469.633
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Canonical SMILES |
CN(C)CC1CCCN(CCCn2ccc(cc2=O)-c2ccn3c(cnc3c2)-c2ccccc2)C1
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InChI |
InChI=1S/C29H35N5O/c1-31(2)21-23-8-6-13-32(22-23)14-7-15-33-16-11-26(19-29(33)35)25-12-17-34-27(20-30-28(34)18-25)24-9-4-3-5-10-24/h3-5,9-12,16-20,23H,6-8,13-15,21-22H2,1-2H3
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InChIKey |
VXURXFPUZVZOQH-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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