General Information of the Compound
| Compound ID |
CP0014726
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| Compound Name |
US8952008, 45
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| Structure |
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| Formula |
C22H21ClN4O3S
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| Molecular Weight |
456.955
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| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1ccc(Cl)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC
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| InChI |
InChI=1S/C22H21ClN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3
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| InChIKey |
RDMPICBUYGOIPW-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