General Information of the Compound
| Compound ID |
CP0453285
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| Compound Name |
(2S,3R)-N-(furan-2-ylmethyl)-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 |
C35H45N3O5
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| Molecular Weight |
587.761
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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)NCc1ccco1
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| InChI |
InChI=1S/C35H45N3O5/c1-4-12-30(33(39)36-23-29-17-11-20-42-29)31(21-25(2)3)34(40)37-32-18-8-9-19-38(35(32)41)24-26-13-10-16-28(22-26)43-27-14-6-5-7-15-27/h5-7,10-11,13-17,20,22,25,30-32H,4,8-9,12,18-19,21,23-24H2,1-3H3,(H,36,39)(H,37,40)/t30-,31+,32-/m0/s1
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| InChIKey |
NAOBDSXNSJKRDB-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