General Information of the Compound
| Compound ID |
CP0460842
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| Compound Name |
(S)-4-(S)-Hydroxy-2-methyl-6-phenyl-5-[(S)-2-((S)-4,4,4-trifluoro-2-hydroxy-butyrylamino)-propionylamino]-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide
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| Structure |
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| Formula |
C31H42F3N5O6
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| Molecular Weight |
637.7
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](O)CC(F)(F)F)C(=O)NCc1ccncc1
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| InChI |
InChI=1S/C31H42F3N5O6/c1-18(2)26(30(45)36-17-22-10-12-35-13-11-22)39-27(42)19(3)14-24(40)23(15-21-8-6-5-7-9-21)38-28(43)20(4)37-29(44)25(41)16-31(32,33)34/h5-13,18-20,23-26,40-41H,14-17H2,1-4H3,(H,36,45)(H,37,44)(H,38,43)(H,39,42)/t19-,20+,23+,24+,25+,26+/m1/s1
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| InChIKey |
DCMVDBRFPYSFOY-XXBZARGWSA-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