General Information of the Compound
| Compound ID |
CP0330901
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| Compound Name |
5-(1-(allyloxyimino)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 |
C37H46F2N4O5
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| Molecular Weight |
664.794
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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/OCC=C
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| InChI |
InChI=1S/C37H46F2N4O5/c1-6-12-43(13-7-2)37(46)30-20-28(25(4)42-48-14-8-3)19-29(21-30)36(45)41-34(18-27-15-31(38)22-32(39)16-27)35(44)24-40-23-26-10-9-11-33(17-26)47-5/h8-11,15-17,19-22,34-35,40,44H,3,6-7,12-14,18,23-24H2,1-2,4-5H3,(H,41,45)/b42-25-/t34-,35+/m0/s1
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| InChIKey |
QEBHUOACLHWAEG-IVSHIFORSA-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