General Information of the Compound
| Compound ID |
CP0302925
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| Compound Name |
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-3-[(E)-N-methoxy-C-methylcarbonimidoyl]-5-[methyl(methylsulfonyl)amino]benzamide
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| Structure |
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| Formula |
C30H36F2N4O6S
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| Molecular Weight |
618.703
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| Canonical SMILES |
CO\N=C(/C)c1cc(cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(OC)c1)N(C)S(C)(=O)=O
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| InChI |
InChI=1S/C30H36F2N4O6S/c1-19(35-42-4)22-13-23(15-26(14-22)36(2)43(5,39)40)30(38)34-28(12-21-9-24(31)16-25(32)10-21)29(37)18-33-17-20-7-6-8-27(11-20)41-3/h6-11,13-16,28-29,33,37H,12,17-18H2,1-5H3,(H,34,38)/b35-19+/t28-,29+/m0/s1
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| InChIKey |
PQYLHOJNCXAHKK-VLCLIKAESA-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