General Information of the Compound
| Compound ID |
CP0503358
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| Compound Name |
(S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-2-methyl-6-phenyl-hexanoic acid ((S)-1-benzylcarbamoyl-2-methyl-propyl)-amide
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| Structure |
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| Formula |
C33H48N4O6
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| Molecular Weight |
596.769
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| Canonical SMILES |
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C33H48N4O6/c1-20(2)28(32(42)34-19-25-15-11-8-12-16-25)37-30(40)22(5)17-27(38)26(18-24-13-9-7-10-14-24)36-31(41)23(6)35-33(43)29(39)21(3)4/h7-16,20-23,26-29,38-39H,17-19H2,1-6H3,(H,34,42)(H,35,43)(H,36,41)(H,37,40)/t22-,23+,26+,27+,28+,29+/m1/s1
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| InChIKey |
ISTMNWSCPKLVBY-KIFMHGOHSA-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