General Information of the Compound
| Compound ID |
CP0272937
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| Compound Name |
(2S,3S)-4-Hydroxy-5-[(S)-2-((S)-2-hydroxy-3-methyl-butyrylamino)-propionylamino]-2-methyl-6-phenyl-hexanoic acid {2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide
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| Structure |
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| Formula |
C32H47N5O6
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| Molecular Weight |
597.757
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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)NCc1ccncc1
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| InChI |
InChI=1S/C32H47N5O6/c1-19(2)27(31(42)34-18-24-12-14-33-15-13-24)37-29(40)21(5)16-26(38)25(17-23-10-8-7-9-11-23)36-30(41)22(6)35-32(43)28(39)20(3)4/h7-15,19-22,25-28,38-39H,16-18H2,1-6H3,(H,34,42)(H,35,43)(H,36,41)(H,37,40)/t21-,22+,25+,26+,27+,28+/m1/s1
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| InChIKey |
QDDJSXCKOULAAU-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