General Information of the Compound
| Compound ID |
CP0419117
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| Compound Name |
N-[(1S)-3-[4-[ethyl-(2-methyl-2-phenylpropanoyl)amino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C32H45N3O2
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| Molecular Weight |
503.731
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)C(C)(C)c1ccccc1
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| InChI |
InChI=1S/C32H45N3O2/c1-5-35(31(37)32(3,4)27-17-10-7-11-18-27)28-19-21-34(22-20-28)24(2)23-29(25-13-8-6-9-14-25)33-30(36)26-15-12-16-26/h6-11,13-14,17-18,24,26,28-29H,5,12,15-16,19-23H2,1-4H3,(H,33,36)/t24?,29-/m0/s1
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| InChIKey |
HUSIYLIXVFOCGJ-PEFOLFAWSA-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