General Information of the Compound
| Compound ID |
CP0075549
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| Compound Name |
(2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-2-[(3S)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C36H45F2N3O4
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| Molecular Weight |
621.769
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| Canonical SMILES |
COc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@H](CCc2ccccc2)N2CC[C@H](CC(C)C)C2=O)c1
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| InChI |
InChI=1S/C36H45F2N3O4/c1-24(2)16-28-14-15-41(36(28)44)33(13-12-25-8-5-4-6-9-25)35(43)40-32(20-27-17-29(37)21-30(38)18-27)34(42)23-39-22-26-10-7-11-31(19-26)45-3/h4-11,17-19,21,24,28,32-34,39,42H,12-16,20,22-23H2,1-3H3,(H,40,43)/t28-,32+,33+,34-/m1/s1
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| InChIKey |
SNDXBLGCUUUDPP-XZLGBSMGSA-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