General Information of the Compound
| Compound ID |
CP0904689
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| Compound Name |
(3S)-9-(4-Benzoylbenzyl)-1-butyl-3-(cyclohexylmethyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C33H44ClN3O3
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| Molecular Weight |
566.186
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(C(=O)c3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C33H43N3O3.ClH/c1-2-3-20-36-31(38)29(23-25-10-6-4-7-11-25)34-32(39)33(36)18-21-35(22-19-33)24-26-14-16-28(17-15-26)30(37)27-12-8-5-9-13-27;/h5,8-9,12-17,25,29H,2-4,6-7,10-11,18-24H2,1H3,(H,34,39);1H/t29-;/m0./s1
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| InChIKey |
SGJTZPZMZOQWBB-JMAPEOGHSA-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