General Information of the Compound
| Compound ID |
CP0436218
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| Compound Name |
(R)-6-Amino-2-((S)-3-(3,5-dibromo-4-hydroxy-phenyl)-2-{3-[2-(2-methoxy-phenyl)-ethyl]-ureido}-propionylamino)-hexanoic acid phenethyl-amide
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| Structure |
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| Formula |
C33H41Br2N5O5
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| Molecular Weight |
747.529
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| Canonical SMILES |
COc1ccccc1CCNC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N[C@H](CCCCN)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C33H41Br2N5O5/c1-45-29-13-6-5-11-24(29)15-18-38-33(44)40-28(21-23-19-25(34)30(41)26(35)20-23)32(43)39-27(12-7-8-16-36)31(42)37-17-14-22-9-3-2-4-10-22/h2-6,9-11,13,19-20,27-28,41H,7-8,12,14-18,21,36H2,1H3,(H,37,42)(H,39,43)(H2,38,40,44)/t27-,28+/m1/s1
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| InChIKey |
DHTVEQNFBKOXKZ-IZLXSDGUSA-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