General Information of the Compound
| Compound ID |
CP0442159
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| Compound Name |
(2S,3R)-N-butyl-3-(2-methylpropyl)-N'-[(3S)-2-oxo-1-[(3-phenoxyphenyl)methyl]azepan-3-yl]-2-propylbutanediamide
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| Structure |
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| Formula |
C34H49N3O4
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| Molecular Weight |
563.783
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| Canonical SMILES |
CCCCNC(=O)[C@@H](CCC)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O
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| InChI |
InChI=1S/C34H49N3O4/c1-5-7-20-35-32(38)29(14-6-2)30(22-25(3)4)33(39)36-31-19-11-12-21-37(34(31)40)24-26-15-13-18-28(23-26)41-27-16-9-8-10-17-27/h8-10,13,15-18,23,25,29-31H,5-7,11-12,14,19-22,24H2,1-4H3,(H,35,38)(H,36,39)/t29-,30+,31-/m0/s1
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| InChIKey |
FDEFDXFJLXEOFS-YPKYBTACSA-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