General Information of the Compound
| Compound ID |
CP0925514
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| Compound Name |
(3S)-1-Butyl-3-(cyclohexylmethyl)-9-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C30H43ClN4O3
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| Molecular Weight |
543.152
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1nc(-c3ccccc3)oc1C)CC2.Cl
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| InChI |
InChI=1S/C30H42N4O3.ClH/c1-3-4-17-34-28(35)25(20-23-11-7-5-8-12-23)32-29(36)30(34)15-18-33(19-16-30)21-26-22(2)37-27(31-26)24-13-9-6-10-14-24;/h6,9-10,13-14,23,25H,3-5,7-8,11-12,15-21H2,1-2H3,(H,32,36);1H/t25-;/m0./s1
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| InChIKey |
JZJGBHIFFJHOST-UQIIZPHYSA-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