General Information of the Compound
| Compound ID |
CP0758111
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| Compound Name |
N-(3-(1-(2-(4-((N-benzyl-4-chlorophenylsulfonamido)methyl)benzoyl)hydrazinyl)ethyl)phenyl)acetamide
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| Structure |
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| Formula |
C31H29ClN4O4S
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| Molecular Weight |
589.117
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| Canonical SMILES |
CC(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
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| InChI |
InChI=1S/C31H29ClN4O4S/c1-22(27-9-6-10-29(19-27)33-23(2)37)34-35-31(38)26-13-11-25(12-14-26)21-36(20-24-7-4-3-5-8-24)41(39,40)30-17-15-28(32)16-18-30/h3-19H,20-21H2,1-2H3,(H,33,37)(H,35,38)/b34-22-
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| InChIKey |
LDWBOMUFSWMQIR-VQNDASPWSA-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