General Information of the Compound
| Compound ID |
CP0927948
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| Compound Name |
(3S)-1-Butyl-3-neopentyl-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C30H42ClN3O3
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| Molecular Weight |
528.137
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC(C)(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C30H41N3O3.ClH/c1-5-6-18-33-27(34)26(21-29(2,3)4)31-28(35)30(33)16-19-32(20-17-30)22-23-12-14-25(15-13-23)36-24-10-8-7-9-11-24;/h7-15,26H,5-6,16-22H2,1-4H3,(H,31,35);1H/t26-;/m0./s1
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| InChIKey |
YMYCGWBOOLZLNU-SNYZSRNZSA-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