General Information of the Compound
| Compound ID |
CP0457579
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| Compound Name |
6-[8-[2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1CCN1CCC2(CN(C(=O)C2)c2ccc(cn2)C#N)CC1
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| InChI |
InChI=1S/C25H26N4O3/c1-17-19(3-4-20-21(17)15-32-24(20)31)6-9-28-10-7-25(8-11-28)12-23(30)29(16-25)22-5-2-18(13-26)14-27-22/h2-5,14H,6-12,15-16H2,1H3
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| InChIKey |
XPZUKKPVOPWXJD-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