General Information of the Compound
| Compound ID |
CP0130504
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| Compound Name |
US10550091, No. LC-12
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| Structure |
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| Formula |
C23H29N3O4S
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| Molecular Weight |
443.569
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| Canonical SMILES |
CCc1cc(OC)c(cc1OC)-n1nnc(c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H29N3O4S/c1-8-16-13-21(30-7)19(14-20(16)29-6)26-15(2)22(24-25-26)31(27,28)18-11-9-17(10-12-18)23(3,4)5/h9-14H,8H2,1-7H3
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| InChIKey |
ZJKGVLVEIMGMIE-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