General Information of the Compound
| Compound ID |
CP0382592
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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-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-4-phenylbutanamide
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| Structure |
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| Formula |
C40H50F2N4O5
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| Molecular Weight |
704.859
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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)[C@H]2C[C@H](CN2)OCc2ccccc2)C1=O)NC(C)=O
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| InChI |
InChI=1S/C40H50F2N4O5/c1-4-26(2)40(45-27(3)47)17-18-46(39(40)50)36(16-15-28-11-7-5-8-12-28)38(49)44-35(21-30-19-31(41)22-32(42)20-30)37(48)34-23-33(24-43-34)51-25-29-13-9-6-10-14-29/h5-14,19-20,22,26,33-37,43,48H,4,15-18,21,23-25H2,1-3H3,(H,44,49)(H,45,47)/t26?,33-,34-,35+,36+,37-,40+/m1/s1
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| InChIKey |
CSMGKZHGVDOCQO-GNHNZFDNSA-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