General Information of the Compound
| Compound ID |
CP0911153
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| Compound Name |
4-Methyl-2-methylamino-pentanoic acid {1-[4,4-bis-(4-fluoro-phenyl)-butyryl]-piperidin-4-yl}-amide hydrochloride
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| Structure |
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| Formula |
C28H38ClF2N3O2
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| Molecular Weight |
522.08
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| Canonical SMILES |
CNC(CC(C)C)C(=O)NC1CCN(C(=O)CCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.Cl
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| InChI |
InChI=1S/C28H37F2N3O2.ClH/c1-19(2)18-26(31-3)28(35)32-24-14-16-33(17-15-24)27(34)13-12-25(20-4-8-22(29)9-5-20)21-6-10-23(30)11-7-21;/h4-11,19,24-26,31H,12-18H2,1-3H3,(H,32,35);1H
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| InChIKey |
LTBBXADFRBLJKL-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