General Information of the Compound
| Compound ID |
CP0042160
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| Compound Name |
2-acetylamino-N-{2-[(1-phenethyl-piperidin-4-yl)-phenyl-carbamoyl]-ethyl}-3-phenyl-propionamide
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| Structure |
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| Formula |
C33H40N4O3
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| Molecular Weight |
540.708
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| Canonical SMILES |
CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
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| InChI |
InChI=1S/C33H40N4O3/c1-26(38)35-31(25-28-13-7-3-8-14-28)33(40)34-21-17-32(39)37(29-15-9-4-10-16-29)30-19-23-36(24-20-30)22-18-27-11-5-2-6-12-27/h2-16,30-31H,17-25H2,1H3,(H,34,40)(H,35,38)
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| InChIKey |
WUNPBVOUZWDDSI-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