General Information of the Compound
Compound ID |
CP0526073
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Compound Name |
1'-[(1-methylimidazol-2-yl)methyl]-1-(6-methylpyridin-3-yl)spiro[indole-3,4'-piperidine]-2-one
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Structure |
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Formula |
C23H25N5O
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Molecular Weight |
387.487
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Canonical SMILES |
Cc1ccc(cn1)N1C(=O)C2(CCN(Cc3nccn3C)CC2)c2ccccc12
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InChI |
InChI=1S/C23H25N5O/c1-17-7-8-18(15-25-17)28-20-6-4-3-5-19(20)23(22(28)29)9-12-27(13-10-23)16-21-24-11-14-26(21)2/h3-8,11,14-15H,9-10,12-13,16H2,1-2H3
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InChIKey |
CSWNGHWOPOWQEI-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