General Information of the Compound
| Compound ID |
CP0921642
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| Compound Name |
(S)-1-butyl-3-(cyclohexylmethyl)-9-(3-(p-tolyloxy)phenethyl)-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@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C)cc3)c1)CC2.Cl
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| InChI |
InChI=1S/C34H47N3O3.ClH/c1-3-4-20-37-32(38)31(25-27-9-6-5-7-10-27)35-33(39)34(37)18-22-36(23-19-34)21-17-28-11-8-12-30(24-28)40-29-15-13-26(2)14-16-29;/h8,11-16,24,27,31H,3-7,9-10,17-23,25H2,1-2H3,(H,35,39);1H/t31-;/m0./s1
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| InChIKey |
YZTGOERPJCNWBS-YNMZEGNTSA-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