General Information of the Compound
| Compound ID |
CP0439768
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| Compound Name |
N-[3-[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]propyl]-2,2-diphenylbutanamide
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| Structure |
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| Formula |
C34H43N3O2
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| Molecular Weight |
525.737
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| Canonical SMILES |
CCC(C(=O)NCCCN1CCC(CC1)c1cccc(NC(=O)C(C)C)c1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C34H43N3O2/c1-4-34(29-14-7-5-8-15-29,30-16-9-6-10-17-30)33(39)35-21-12-22-37-23-19-27(20-24-37)28-13-11-18-31(25-28)36-32(38)26(2)3/h5-11,13-18,25-27H,4,12,19-24H2,1-3H3,(H,35,39)(H,36,38)
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| InChIKey |
GDXCCQORISFUQU-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