General Information of the Compound
| Compound ID |
CP0568857
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| Compound Name |
(2R)-N-[(2R)-6-amino-1-morpholin-4-yl-1-oxohexan-2-yl]-4-methyl-2-[[(2R)-3-phenyl-2-[[2-[[(1S,2R)-2-phenylcyclopropyl]amino]acetyl]amino]propanoyl]amino]pentanamide
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| Structure |
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| Formula |
C36H52N6O5
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| Molecular Weight |
648.849
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C36H52N6O5/c1-25(2)21-31(34(44)40-29(15-9-10-16-37)36(46)42-17-19-47-20-18-42)41-35(45)32(22-26-11-5-3-6-12-26)39-33(43)24-38-30-23-28(30)27-13-7-4-8-14-27/h3-8,11-14,25,28-32,38H,9-10,15-24,37H2,1-2H3,(H,39,43)(H,40,44)(H,41,45)/t28-,29-,30+,31-,32-/m1/s1
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| InChIKey |
QOJYYMJQSCNIGX-HXBJCGEWSA-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