General Information of the Compound
| Compound ID |
CP0508028
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| Compound Name |
N-[(1S)-3-[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-1-[4-(trifluoromethyl)phenyl]propyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C28H35F3N2O2
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| Molecular Weight |
488.594
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| Canonical SMILES |
OCC1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C28H35F3N2O2/c29-28(30,31)24-11-9-22(10-12-24)25(32-26(35)23-7-4-8-23)13-16-33-17-14-27(20-34,15-18-33)19-21-5-2-1-3-6-21/h1-3,5-6,9-12,23,25,34H,4,7-8,13-20H2,(H,32,35)/t25-/m0/s1
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| InChIKey |
LCFYNQQFENYVJT-VWLOTQADSA-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