General Information of the Compound
| Compound ID |
CP0927949
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| Compound Name |
rac-[1-Butyl-2,5-dioxo-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undec-3-yl]acetic acid hydrochloride
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| Structure |
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| Formula |
C27H34ClN3O5
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| Molecular Weight |
516.038
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| Canonical SMILES |
CCCCN1C(=O)C(CC(=O)O)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C27H33N3O5.ClH/c1-2-3-15-30-25(33)23(18-24(31)32)28-26(34)27(30)13-16-29(17-14-27)19-20-9-11-22(12-10-20)35-21-7-5-4-6-8-21;/h4-12,23H,2-3,13-19H2,1H3,(H,28,34)(H,31,32);1H
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| InChIKey |
WZERIMRZNBKAEM-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