General Information of the Compound
| Compound ID |
CP0542373
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| Compound Name |
N-(furan-2-ylmethyl)-4-[5-[(2-nitrophenyl)methyl]-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]benzamide
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| Structure |
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| Formula |
C28H23N3O5S
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| Molecular Weight |
513.575
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1CN1c2ccccc2SC(CC1=O)c1ccc(cc1)C(=O)NCc1ccco1
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| InChI |
InChI=1S/C28H23N3O5S/c32-27-16-26(19-11-13-20(14-12-19)28(33)29-17-22-7-5-15-36-22)37-25-10-4-3-9-24(25)30(27)18-21-6-1-2-8-23(21)31(34)35/h1-15,26H,16-18H2,(H,29,33)
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| InChIKey |
DXPLGRUQCBEFHL-UHFFFAOYSA-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