General Information of the Compound
| Compound ID |
CP0920374
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| Compound Name |
rac-1-Butyl-3-(cyclohexylmethyl)-9-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C29H41ClN4O2S
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| Molecular Weight |
545.193
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| Canonical SMILES |
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(Cc1csc(-c3ccccc3)n1)CC2.Cl
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| InChI |
InChI=1S/C29H40N4O2S.ClH/c1-2-3-16-33-27(34)25(19-22-10-6-4-7-11-22)31-28(35)29(33)14-17-32(18-15-29)20-24-21-36-26(30-24)23-12-8-5-9-13-23;/h5,8-9,12-13,21-22,25H,2-4,6-7,10-11,14-20H2,1H3,(H,31,35);1H
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| InChIKey |
GUISUVGHUSIVKO-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