General Information of the Compound
| Compound ID |
CP0545284
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| Compound Name |
3-[5-[[(3R,5S)-7-cyclohexyl-3-hydroxy-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]pyridin-2-yl]benzonitrile
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
O[C@H]1CN(Cc2ccc(nc2)-c2cccc(c2)C#N)[C@@]2(CCN(C3CCCCC3)C2=O)C1
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| InChI |
InChI=1S/C26H30N4O2/c27-15-19-5-4-6-21(13-19)24-10-9-20(16-28-24)17-29-18-23(31)14-26(29)11-12-30(25(26)32)22-7-2-1-3-8-22/h4-6,9-10,13,16,22-23,31H,1-3,7-8,11-12,14,17-18H2/t23-,26+/m1/s1
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| InChIKey |
MURHEBCFCJWTNG-BVAGGSTKSA-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