General Information of the Compound
| Compound ID |
CP0903579
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| Compound Name |
rac-Ethyl 4-[1-butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]benzoate hydrochloride
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| Structure |
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| Formula |
C28H42ClN3O4
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| Molecular Weight |
520.114
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| Canonical SMILES |
CCCCN1C(=O)C(CC2CCCCC2)NC(=O)C12CCN(c1ccc(C(=O)OCC)cc1)CC2.Cl
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| InChI |
InChI=1S/C28H41N3O4.ClH/c1-3-5-17-31-25(32)24(20-21-9-7-6-8-10-21)29-27(34)28(31)15-18-30(19-16-28)23-13-11-22(12-14-23)26(33)35-4-2;/h11-14,21,24H,3-10,15-20H2,1-2H3,(H,29,34);1H
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| InChIKey |
XRVKWUIWQZWOOQ-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