General Information of the Compound
| Compound ID |
CP0249085
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| Compound Name |
N-ethyl-2-[1-[2-fluoro-4-[(2-phenylphenyl)carbamoylamino]phenyl]piperidin-4-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C34H35FN4O2
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| Molecular Weight |
550.678
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| Canonical SMILES |
CCNC(=O)C(C1CCN(CC1)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1F)c1ccccc1
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| InChI |
InChI=1S/C34H35FN4O2/c1-2-36-33(40)32(25-13-7-4-8-14-25)26-19-21-39(22-20-26)31-18-17-27(23-29(31)35)37-34(41)38-30-16-10-9-15-28(30)24-11-5-3-6-12-24/h3-18,23,26,32H,2,19-22H2,1H3,(H,36,40)(H2,37,38,41)
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| InChIKey |
IQGFSLKBISBLNR-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