General Information of the Compound
| Compound ID |
CP0130505
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| Compound Name |
US10550091, No. LC-14
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| Structure |
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| Formula |
C22H27N3O5S
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| Molecular Weight |
445.541
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| Canonical SMILES |
COc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C22H27N3O5S/c1-14-21(31(26,27)16-10-8-15(9-11-16)22(2,3)4)23-24-25(14)17-12-19(29-6)20(30-7)13-18(17)28-5/h8-13H,1-7H3
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| InChIKey |
KUWFOILULGFGAF-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