General Information of the Compound
| Compound ID |
CP0323732
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| Compound Name |
(2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-2-[(3R)-3-(methoxymethyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C34H41F2N3O5
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| Molecular Weight |
609.714
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| Canonical SMILES |
COC[C@H]1CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O
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| InChI |
InChI=1S/C34H41F2N3O5/c1-43-22-26-13-14-39(34(26)42)31(12-11-23-7-4-3-5-8-23)33(41)38-30(18-25-15-27(35)19-28(36)16-25)32(40)21-37-20-24-9-6-10-29(17-24)44-2/h3-10,15-17,19,26,30-32,37,40H,11-14,18,20-22H2,1-2H3,(H,38,41)/t26-,30+,31+,32-/m1/s1
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| InChIKey |
LVFMRCNROUBZAJ-SSHYCOHZSA-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