General Information of the Compound
| Compound ID |
CP0526739
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| Compound Name |
2-((3S,5S)-5-(3-(aminomethyl)benzyl)-1-(biphenyl-4-ylmethyl)-2-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-3-yl)-N-(2-fluorobenzyl)acetamide
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| Structure |
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| Formula |
C39H36FN3O3
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| Molecular Weight |
613.733
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| Canonical SMILES |
NCc1cccc(C[C@@H]2O[C@@H](CC(=O)NCc3ccccc3F)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c3ccccc23)c1
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| InChI |
InChI=1S/C39H36FN3O3/c40-34-15-6-4-13-32(34)25-42-38(44)23-37-39(45)43(26-27-17-19-31(20-18-27)30-11-2-1-3-12-30)35-16-7-5-14-33(35)36(46-37)22-28-9-8-10-29(21-28)24-41/h1-21,36-37H,22-26,41H2,(H,42,44)/t36-,37-/m0/s1
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| InChIKey |
CHTPAWPHBCPSKZ-BCRBLDSWSA-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