General Information of the Compound
| Compound ID |
CP0918696
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| Compound Name |
rac-1-Benzyl-3-isobutyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C32H38ClN3O3
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| Molecular Weight |
548.127
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| Canonical SMILES |
CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O.Cl
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| InChI |
InChI=1S/C32H37N3O3.ClH/c1-24(2)21-29-30(36)35(23-25-9-5-3-6-10-25)32(31(37)33-29)17-19-34(20-18-32)22-26-13-15-28(16-14-26)38-27-11-7-4-8-12-27;/h3-16,24,29H,17-23H2,1-2H3,(H,33,37);1H
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| InChIKey |
CMSQROXDXWDJRX-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