General Information of the Compound
| Compound ID |
CP0578134
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| Compound Name |
US8987445, 31
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| Structure |
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| Formula |
C28H22N2O4S
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| Molecular Weight |
482.561
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1cccc2ccccc12)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H22N2O4S/c1-19-25-11-4-3-8-22(25)17-29-27(19)30(18-23-10-6-9-20-7-2-5-12-26(20)23)35(33,34)24-15-13-21(14-16-24)28(31)32/h2-17H,18H2,1H3,(H,31,32)
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| InChIKey |
DPXHBXJZTDFHOY-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