General Information of the Compound
| Compound ID |
CP0293734
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| Compound Name |
(2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C36H50F2N4O5
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| Molecular Weight |
656.815
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| Canonical SMILES |
CCCO[C@H]1CN[C@H](C1)[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)[C@H](CCc1ccccc1)N1CC[C@](NC(C)=O)(C(C)CC)C1=O
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| InChI |
InChI=1S/C36H50F2N4O5/c1-5-16-47-29-21-30(39-22-29)33(44)31(19-26-17-27(37)20-28(38)18-26)40-34(45)32(13-12-25-10-8-7-9-11-25)42-15-14-36(35(42)46,23(3)6-2)41-24(4)43/h7-11,17-18,20,23,29-33,39,44H,5-6,12-16,19,21-22H2,1-4H3,(H,40,45)(H,41,43)/t23?,29-,30-,31+,32+,33-,36+/m1/s1
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| InChIKey |
NIJRXGKMRCWJPW-FFFUPCJUSA-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