General Information of the Compound
| Compound ID |
CP0579919
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]-4-thiophen-3-ylbutanamide
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| Structure |
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| Formula |
C29H33ClN2O4S2
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| Molecular Weight |
573.18
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)CCCc1ccsc1
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| InChI |
InChI=1S/C29H33ClN2O4S2/c1-3-16-31-38(34,35)27-11-8-23(9-12-27)14-17-32(29(33)7-5-6-24-15-19-37-22-24)21-25-20-26(30)10-13-28(25)36-18-4-2/h1,8-13,15,19-20,22,31H,4-7,14,16-18,21H2,2H3
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| InChIKey |
ODEYBDDPNWZRKM-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