General Information of the Compound
| Compound ID |
CP0920758
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| Compound Name |
rac-1-Butyl-9-(4-phenoxybenzyl)-3-propyl-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C28H38ClN3O3
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| Molecular Weight |
500.083
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| Canonical SMILES |
CCCCN1C(=O)C(CCC)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C28H37N3O3.ClH/c1-3-5-18-31-26(32)25(9-4-2)29-27(33)28(31)16-19-30(20-17-28)21-22-12-14-24(15-13-22)34-23-10-7-6-8-11-23;/h6-8,10-15,25H,3-5,9,16-21H2,1-2H3,(H,29,33);1H
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| InChIKey |
MJJSJKSKZNPIIV-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