General Information of the Compound
| Compound ID |
CP0394246
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| Compound Name |
(2S,3R)-N-cyclopentyl-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 |
C35H49N3O4
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| Molecular Weight |
575.794
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| Canonical SMILES |
CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C35H49N3O4/c1-4-13-30(33(39)36-27-15-8-9-16-27)31(22-25(2)3)34(40)37-32-20-10-11-21-38(35(32)41)24-26-14-12-19-29(23-26)42-28-17-6-5-7-18-28/h5-7,12,14,17-19,23,25,27,30-32H,4,8-11,13,15-16,20-22,24H2,1-3H3,(H,36,39)(H,37,40)/t30-,31+,32-/m0/s1
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| InChIKey |
OZFRJXULYOPTLW-QAXCHELISA-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