General Information of the Compound
| Compound ID |
CP0062594
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| Compound Name |
5-[(1-ethylpiperidin-4-yl)amino]-3-[1H-imidazol-2-yl(phenyl)methylidene]-1H-indol-2-one
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| Structure |
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| Formula |
C25H27N5O
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| Molecular Weight |
413.525
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| Canonical SMILES |
CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H27N5O/c1-2-30-14-10-18(11-15-30)28-19-8-9-21-20(16-19)23(25(31)29-21)22(24-26-12-13-27-24)17-6-4-3-5-7-17/h3-9,12-13,16,18,28H,2,10-11,14-15H2,1H3,(H,26,27)(H,29,31)
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| InChIKey |
PAUHYDQXWBOZBD-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