General Information of the Compound
| Compound ID |
CP0447799
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| Compound Name |
6-[8-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-2,8-diazaspiro[4.5]decan-2-yl]-2-methylpyridine-3-carbonitrile
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| Structure |
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| Formula |
C26H30N4O3
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| Molecular Weight |
446.551
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| Canonical SMILES |
Cc1nc(ccc1C#N)N1CCC2(C1)CCN(C[C@H](O)c1ccc3C(=O)OCc3c1C)CC2
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| InChI |
InChI=1S/C26H30N4O3/c1-17-20(4-5-21-22(17)15-33-25(21)32)23(31)14-29-10-7-26(8-11-29)9-12-30(16-26)24-6-3-19(13-27)18(2)28-24/h3-6,23,31H,7-12,14-16H2,1-2H3/t23-/m0/s1
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| InChIKey |
DAEXRDGKBMPMOR-QHCPKHFHSA-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