General Information of the Compound
| Compound ID |
CP0372685
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| Compound Name |
4-(2-Oxo-benzooxazol-3-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 |
C37H44Br2N8O6
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| Molecular Weight |
856.617
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| Canonical SMILES |
NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2oc1=O)C(=O)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C37H44Br2N8O6/c38-27-21-24(22-28(39)33(27)48)23-30(43-36(51)46-15-10-26(11-16-46)47-31-6-1-2-7-32(31)53-37(47)52)34(49)42-29(5-3-4-12-40)35(50)45-19-17-44(18-20-45)25-8-13-41-14-9-25/h1-2,6-9,13-14,21-22,26,29-30,48H,3-5,10-12,15-20,23,40H2,(H,42,49)(H,43,51)/t29-,30+/m1/s1
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| InChIKey |
PWPMKDORTALZSG-IHLOFXLRSA-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