General Information of the Compound
| Compound ID |
CP0920372
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| Compound Name |
rac-1,3-Diisobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C29H40ClN3O3
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| Molecular Weight |
514.11
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| Canonical SMILES |
CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(CC(C)C)C1=O.Cl
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| InChI |
InChI=1S/C29H39N3O3.ClH/c1-21(2)18-26-27(33)32(19-22(3)4)29(28(34)30-26)14-16-31(17-15-29)20-23-10-12-25(13-11-23)35-24-8-6-5-7-9-24;/h5-13,21-22,26H,14-20H2,1-4H3,(H,30,34);1H
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| InChIKey |
XREAGLQQNGPQLA-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