General Information of the Compound
| Compound ID |
CP0544154
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| Compound Name |
4-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]-2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)benzamide
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| Formula |
C30H35Cl2N5O8S
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| Molecular Weight |
696.61
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| Canonical SMILES |
Clc1ccc(NC(=O)c2ccc(cc2Cl)S(=O)(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1-c1ccccn1
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| InChI |
InChI=1S/C30H35Cl2N5O8S/c31-27-7-4-23(21-26(27)29-3-1-2-8-34-29)36-30(38)25-6-5-24(22-28(25)32)46(39,40)20-19-45-18-17-44-16-15-43-14-13-42-12-11-41-10-9-35-37-33/h1-8,21-22H,9-20H2,(H,36,38)
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| InChIKey |
JPQGUEOXKPUDRV-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