General Information of the Compound
| Compound ID |
CP0069952
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| Compound Name |
1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-(4-fluorophenoxy)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C38H42F3N3O5
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| Molecular Weight |
677.764
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(Oc2ccc(F)cc2)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1
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| InChI |
InChI=1S/C38H42F3N3O5/c1-4-13-44(14-5-2)38(47)28-19-27(20-34(21-28)49-32-11-9-29(39)10-12-32)37(46)43-35(18-26-15-30(40)22-31(41)16-26)36(45)24-42-23-25-7-6-8-33(17-25)48-3/h6-12,15-17,19-22,35-36,42,45H,4-5,13-14,18,23-24H2,1-3H3,(H,43,46)/t35-,36+/m0/s1
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| InChIKey |
JETJWGUSWYCCER-MPQUPPDSSA-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