General Information of the Compound
| Compound ID |
CP0423242
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| Compound Name |
N-[(1S)-3-[4-[ethyl-[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]-1-phenylbutyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C31H40F3N3O2
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| Molecular Weight |
543.674
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| Canonical SMILES |
CCN(C1CCN(CC1)C(C)C[C@H](NC(=O)C1CCC1)c1ccccc1)C(=O)Cc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H40F3N3O2/c1-3-37(29(38)21-23-12-14-26(15-13-23)31(32,33)34)27-16-18-36(19-17-27)22(2)20-28(24-8-5-4-6-9-24)35-30(39)25-10-7-11-25/h4-6,8-9,12-15,22,25,27-28H,3,7,10-11,16-21H2,1-2H3,(H,35,39)/t22?,28-/m0/s1
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| InChIKey |
UOMLSLXBNUUSBV-WNWQKLGWSA-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