General Information of the Compound
| Compound ID |
CP0477064
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| Compound Name |
CHEMBL4442128
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| Formula |
C25H34FN3O4S
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| Molecular Weight |
491.629
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| Canonical SMILES |
CC(C)c1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1
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| InChI |
InChI=1S/C25H34FN3O4S/c1-16(2)21-22(29-20-7-6-18(12-19(20)26)34(5,30)31)27-15-28-23(21)33-17-8-10-25(11-9-17)13-24(3,4)32-14-25/h6-7,12,15-17H,8-11,13-14H2,1-5H3,(H,27,28,29)/t17-,25+
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| InChIKey |
ZBTVYBWXEMTTAJ-CKQQTVSASA-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