General Information of the Compound
| Compound ID |
CP0399875
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| Compound Name |
N-[3-[1-[3-[(2-hydroxy-2,2-diphenylacetyl)amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
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| Structure |
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| Formula |
C33H41N3O3
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| Molecular Weight |
527.709
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| Canonical SMILES |
CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
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| InChI |
InChI=1S/C33H41N3O3/c1-24(2)31(37)35-29-16-15-25(3)30(23-29)26-17-21-36(22-18-26)20-10-19-34-32(38)33(39,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-16,23-24,26,39H,10,17-22H2,1-3H3,(H,34,38)(H,35,37)
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| InChIKey |
INMZLZRTJQLJQQ-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