General Information of the Compound
| Compound ID |
CP0550730
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]acetamide
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| Structure |
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| Formula |
C30H33ClN2O5S
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| Molecular Weight |
569.123
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccc(OC)cc1
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| InChI |
InChI=1S/C30H33ClN2O5S/c1-4-17-32-39(35,36)28-13-8-23(9-14-28)16-18-33(30(34)20-24-6-11-27(37-3)12-7-24)22-25-21-26(31)10-15-29(25)38-19-5-2/h1,6-15,21,32H,5,16-20,22H2,2-3H3
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| InChIKey |
OOQCXFVZIFIBJE-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