General Information of the Compound
| Compound ID |
CP0330902
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| Compound Name |
5-(1-(benzyloxyimino)ethyl)-N1-((2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-(3-methoxybenzylamino)butan-2-yl)-N3,N3-dipropylisophthalamide
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| Structure |
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| Formula |
C41H48F2N4O5
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| Molecular Weight |
714.854
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)C(\C)=N/OCc1ccccc1
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| InChI |
InChI=1S/C41H48F2N4O5/c1-5-15-47(16-6-2)41(50)34-22-32(28(3)46-52-27-29-11-8-7-9-12-29)21-33(23-34)40(49)45-38(20-31-17-35(42)24-36(43)18-31)39(48)26-44-25-30-13-10-14-37(19-30)51-4/h7-14,17-19,21-24,38-39,44,48H,5-6,15-16,20,25-27H2,1-4H3,(H,45,49)/b46-28-/t38-,39+/m0/s1
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| InChIKey |
RHTBDWUASNTDIZ-MLQUEILVSA-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