General Information of the Compound
| Compound ID |
CP0138923
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| Compound Name |
US10550091, No. LC-55
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| Structure |
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| Formula |
C22H27N3O4S
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| Molecular Weight |
429.542
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| Canonical SMILES |
CCc1c(nnn1-c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C22H27N3O4S/c1-7-18-21(30(26,27)17-11-8-15(9-12-17)22(2,3)4)23-24-25(18)19-14-16(28-5)10-13-20(19)29-6/h8-14H,7H2,1-6H3
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| InChIKey |
XAVGTIZMWFMYNC-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