General Information of the Compound
| Compound ID |
CP0885654
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| Compound Name |
(S)-N-((S)-3-(biphenyl-4-yl)-1-((R)-2-methyloxiran-2-yl)-1-oxopropan-2-yl)-3-(4-methoxyphenyl)-2-((R)-2-(2-morpholinoacetamido)propanamido)propanamide
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| Structure |
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| Formula |
C37H44N4O7
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| Molecular Weight |
656.78
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| Canonical SMILES |
COc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)[C@@]2(C)CO2)cc1
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| InChI |
InChI=1S/C37H44N4O7/c1-25(38-33(42)23-41-17-19-47-20-18-41)35(44)40-32(22-27-11-15-30(46-3)16-12-27)36(45)39-31(34(43)37(2)24-48-37)21-26-9-13-29(14-10-26)28-7-5-4-6-8-28/h4-16,25,31-32H,17-24H2,1-3H3,(H,38,42)(H,39,45)(H,40,44)/t25-,31+,32+,37-/m1/s1
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| InChIKey |
SGPPVEYFQAVEPL-AKNXWHBWSA-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