General Information of the Compound
| Compound ID |
CP0258460
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| Compound Name |
(S)-5-[(S)-2-((S)-2-Fluoro-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 |
C32H46FN5O5
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| Molecular Weight |
599.748
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| Canonical SMILES |
CC(C)[C@H](F)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)NCc1ccncc1
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| InChI |
InChI=1S/C32H46FN5O5/c1-19(2)27(33)31(42)36-22(6)30(41)37-25(17-23-10-8-7-9-11-23)26(39)16-21(5)29(40)38-28(20(3)4)32(43)35-18-24-12-14-34-15-13-24/h7-15,19-22,25-28,39H,16-18H2,1-6H3,(H,35,43)(H,36,42)(H,37,41)(H,38,40)/t21-,22+,25+,26+,27+,28+/m1/s1
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| InChIKey |
ZKYVJVLJUGAHBJ-WTOKIVCYSA-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