General Information of the Compound
| Compound ID |
CP0553417
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| Compound Name |
methyl 3-[[3,3-diphenylpropyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]amino]benzoate
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| Structure |
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| Formula |
C30H34N2O5
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| Molecular Weight |
502.611
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| Canonical SMILES |
COC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(=O)OC(C)(C)C)c1
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| InChI |
InChI=1S/C30H34N2O5/c1-30(2,3)37-27(33)21-32(29(35)31-25-17-11-16-24(20-25)28(34)36-4)19-18-26(22-12-7-5-8-13-22)23-14-9-6-10-15-23/h5-17,20,26H,18-19,21H2,1-4H3,(H,31,35)
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| InChIKey |
PYYDFZLYFSWBRU-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