General Information of the Compound
| Compound ID |
CP0536491
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| Compound Name |
N,N-diethyl-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 |
C27H27N3O4S
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| Molecular Weight |
489.597
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1
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| InChI |
InChI=1S/C27H27N3O4S/c1-3-28(4-2)27(32)20-15-13-19(14-16-20)25-17-26(31)29(23-11-7-8-12-24(23)35-25)18-21-9-5-6-10-22(21)30(33)34/h5-16,25H,3-4,17-18H2,1-2H3
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| InChIKey |
ZHRYZASFWFOYKH-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