General Information of the Compound
| Compound ID |
CP0407830
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| Compound Name |
2-[(3,4-dimethylphenyl)methyl]-3-{[1-(3-fluoro-4-methanesulfonamidophenyl)cyclopropyl]formamido}propyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C28H37FN2O5S
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| Molecular Weight |
532.678
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| Canonical SMILES |
Cc1ccc(CC(CNC(=O)C2(CC2)c2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
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| InChI |
InChI=1S/C28H37FN2O5S/c1-18-7-8-20(13-19(18)2)14-21(17-36-26(33)27(3,4)5)16-30-25(32)28(11-12-28)22-9-10-24(23(29)15-22)31-37(6,34)35/h7-10,13,15,21,31H,11-12,14,16-17H2,1-6H3,(H,30,32)
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| InChIKey |
BZSPLBLRORRSLJ-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