General Information of the Compound
| Compound ID |
CP0913150
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| Compound Name |
rac-1-Butyl-3-(cyclopentylmethyl)-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione hydrochloride
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| Structure |
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| Formula |
C31H42ClN3O3
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| Molecular Weight |
540.148
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| Canonical SMILES |
CCCCN1C(=O)C(CC2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C31H41N3O3.ClH/c1-2-3-19-34-29(35)28(22-24-9-7-8-10-24)32-30(36)31(34)17-20-33(21-18-31)23-25-13-15-27(16-14-25)37-26-11-5-4-6-12-26;/h4-6,11-16,24,28H,2-3,7-10,17-23H2,1H3,(H,32,36);1H
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| InChIKey |
VBQZJQDFCYXMQX-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