General Information of the Compound
| Compound ID |
CP0086719
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| Compound Name |
5-(1-acetamidoethyl)-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 |
C36H46F2N4O5
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| Molecular Weight |
652.783
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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)NC(C)=O
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| InChI |
InChI=1S/C36H46F2N4O5/c1-6-11-42(12-7-2)36(46)29-18-27(23(3)40-24(4)43)17-28(19-29)35(45)41-33(16-26-13-30(37)20-31(38)14-26)34(44)22-39-21-25-9-8-10-32(15-25)47-5/h8-10,13-15,17-20,23,33-34,39,44H,6-7,11-12,16,21-22H2,1-5H3,(H,40,43)(H,41,45)/t23?,33-,34+/m0/s1
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| InChIKey |
UGBSEOTXZMYIEQ-FEYGOSSJSA-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