General Information of the Compound
| Compound ID |
CP0105113
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| Compound Name |
(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C38H48F2N4O5
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| Molecular Weight |
678.821
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| Canonical SMILES |
CCC(C)[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(OC)c2)C1=O)NC(C)=O
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| InChI |
InChI=1S/C38H48F2N4O5/c1-5-25(2)38(43-26(3)45)16-17-44(37(38)48)34(15-14-27-10-7-6-8-11-27)36(47)42-33(21-29-18-30(39)22-31(40)19-29)35(46)24-41-23-28-12-9-13-32(20-28)49-4/h6-13,18-20,22,25,33-35,41,46H,5,14-17,21,23-24H2,1-4H3,(H,42,47)(H,43,45)/t25?,33-,34-,35+,38-/m0/s1
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| InChIKey |
RCAZOLSIRITUKZ-VHVJLOLGSA-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