General Information of the Compound
| Compound ID |
CP0484573
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| Compound Name |
(S)-4-(S)-Hydroxy-5-[(S)-2-((S)-2-hydroxy-4-methyl-pentanoylamino)-propionylamino]-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 |
C33H49N5O6
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| Molecular Weight |
611.784
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| Canonical SMILES |
CC(C)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)NCc1ccncc1
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| InChI |
InChI=1S/C33H49N5O6/c1-20(2)16-28(40)32(43)36-23(6)31(42)37-26(18-24-10-8-7-9-11-24)27(39)17-22(5)30(41)38-29(21(3)4)33(44)35-19-25-12-14-34-15-13-25/h7-15,20-23,26-29,39-40H,16-19H2,1-6H3,(H,35,44)(H,36,43)(H,37,42)(H,38,41)/t22-,23+,26+,27+,28+,29+/m1/s1
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| InChIKey |
IWTIFQDWLDJQRW-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