General Information of the Compound
| Compound ID |
CP0481180
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| Compound Name |
US8987445, 80
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| Structure |
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| Formula |
C28H26N2O5S
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| Molecular Weight |
502.592
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| Canonical SMILES |
Cc1c(ncc2ccccc12)N(Cc1ccc2OC(C)(C)Cc2c1)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H26N2O5S/c1-18-24-7-5-4-6-21(24)16-29-26(18)30(36(33,34)23-11-9-20(10-12-23)27(31)32)17-19-8-13-25-22(14-19)15-28(2,3)35-25/h4-14,16H,15,17H2,1-3H3,(H,31,32)
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| InChIKey |
BSJKBRKHQDTKGS-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