General Information of the Compound
| Compound ID |
CP0539740
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| Compound Name |
(S)-5-[(S)-3-tert-Butoxy-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-4-(S)-hydroxy-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide
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| Structure |
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| Formula |
C36H55N5O7
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| Molecular Weight |
669.864
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| Canonical SMILES |
CC(C)[C@H](O)C(=O)N[C@@H](COC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C36H55N5O7/c1-22(2)30(34(46)38-20-26-14-16-37-17-15-26)41-32(44)24(5)18-29(42)27(19-25-12-10-9-11-13-25)39-33(45)28(21-48-36(6,7)8)40-35(47)31(43)23(3)4/h9-17,22-24,27-31,42-43H,18-21H2,1-8H3,(H,38,46)(H,39,45)(H,40,47)(H,41,44)/t24-,27+,28+,29+,30+,31+/m1/s1
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| InChIKey |
ZMTNCECIRCEISX-LJXNYGQKSA-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