General Information of the Compound
| Compound ID |
CP0555156
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| Compound Name |
CHEMBL4592464
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| Formula |
C25H33FN4O3S
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| Molecular Weight |
488.629
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| Canonical SMILES |
CN([C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1ncnc2N(CCc12)c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C25H33FN4O3S/c1-24(2)14-25(15-33-24)10-7-17(8-11-25)29(3)22-19-9-12-30(23(19)28-16-27-22)21-6-5-18(13-20(21)26)34(4,31)32/h5-6,13,16-17H,7-12,14-15H2,1-4H3/t17-,25+
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| InChIKey |
LXZMPSQZPSINEM-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