General Information of the Compound
| Compound ID |
CP0535377
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| Compound Name |
ethyl 4-[2-[4-(1-cyclobutylpiperidin-4-yl)oxyanilino]-2-oxoethyl]piperazine-1-carboxylate;dihydrochloride
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| Structure |
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| Formula |
C24H38Cl2N4O4
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| Molecular Weight |
517.498
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| Canonical SMILES |
Cl.Cl.CCOC(=O)N1CCN(CC(=O)Nc2ccc(OC3CCN(CC3)C3CCC3)cc2)CC1
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| InChI |
InChI=1S/C24H36N4O4.2ClH/c1-2-31-24(30)28-16-14-26(15-17-28)18-23(29)25-19-6-8-21(9-7-19)32-22-10-12-27(13-11-22)20-4-3-5-20;;/h6-9,20,22H,2-5,10-18H2,1H3,(H,25,29);2*1H
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| InChIKey |
SPHXQTQHNWMMOJ-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