General Information of the Compound
| Compound ID |
CP0431517
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| Compound Name |
4-(2-Oxo-4-phenyl-2,3-dihydro-imidazol-1-yl)-piperidine-1-carboxylic acid [(S)-1-[(R)-5-amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentylcarbamoyl]-2-(3,5-dibromo-4-hydroxy-phenyl)-ethyl]-amide
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| Structure |
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| Formula |
C39H47Br2N9O5
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| Molecular Weight |
881.671
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| Canonical SMILES |
NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1cc([nH]c1=O)-c1ccccc1)C(=O)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C39H47Br2N9O5/c40-30-22-26(23-31(41)35(30)51)24-33(45-38(54)49-16-11-29(12-17-49)50-25-34(46-39(50)55)27-6-2-1-3-7-27)36(52)44-32(8-4-5-13-42)37(53)48-20-18-47(19-21-48)28-9-14-43-15-10-28/h1-3,6-7,9-10,14-15,22-23,25,29,32-33,51H,4-5,8,11-13,16-21,24,42H2,(H,44,52)(H,45,54)(H,46,55)/t32-,33+/m1/s1
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| InChIKey |
VMVAWVMWSRXHRT-SAIUNTKASA-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