General Information of the Compound
| Compound ID |
CP0920373
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| Compound Name |
rac-1-Butyl-3-(3-cyclohexylpropyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C34H48ClN3O3
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| Molecular Weight |
582.229
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| Canonical SMILES |
CCCCN1C(=O)C(CCCC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C34H47N3O3.ClH/c1-2-3-23-37-32(38)31(16-10-13-27-11-6-4-7-12-27)35-33(39)34(37)21-24-36(25-22-34)26-28-17-19-30(20-18-28)40-29-14-8-5-9-15-29;/h5,8-9,14-15,17-20,27,31H,2-4,6-7,10-13,16,21-26H2,1H3,(H,35,39);1H
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| InChIKey |
HERZSXVPOBFWMI-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