General Information of the Compound
| Compound ID |
CP0922771
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| Compound Name |
rac-1-Butyl-3-(cyclohexylmethyl)-9-[(6-phenoxypyridin-3-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione dihydrochloride
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| Structure |
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| Formula |
C31H44Cl2N4O3
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| Molecular Weight |
591.624
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| Canonical SMILES |
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)nc1)CC2.Cl.Cl
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| InChI |
InChI=1S/C31H42N4O3.2ClH/c1-2-3-18-35-29(36)27(21-24-10-6-4-7-11-24)33-30(37)31(35)16-19-34(20-17-31)23-25-14-15-28(32-22-25)38-26-12-8-5-9-13-26;;/h5,8-9,12-15,22,24,27H,2-4,6-7,10-11,16-21,23H2,1H3,(H,33,37);2*1H
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| InChIKey |
BZORTMLNSYIMGW-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