General Information of the Compound
| Compound ID |
CP0527036
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| Compound Name |
1-(3,4-dimethylphenyl)-1'-[(1-methylimidazol-2-yl)methyl]spiro[indole-3,4'-piperidine]-2-one
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
400.526
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| Canonical SMILES |
Cc1ccc(cc1C)N1C(=O)C2(CCN(Cc3nccn3C)CC2)c2ccccc12
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| InChI |
InChI=1S/C25H28N4O/c1-18-8-9-20(16-19(18)2)29-22-7-5-4-6-21(22)25(24(29)30)10-13-28(14-11-25)17-23-26-12-15-27(23)3/h4-9,12,15-16H,10-11,13-14,17H2,1-3H3
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| InChIKey |
XJVXTJXBXKHPAZ-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