General Information of the Compound
| Compound ID |
CP0436075
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| Compound Name |
CHEMBL4585818
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| Formula |
C24H33FN4O3S
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| Molecular Weight |
476.618
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| Canonical SMILES |
CN([C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1ncnc(Nc2ccc(cc2F)S(C)(=O)=O)c1C
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| InChI |
InChI=1S/C24H33FN4O3S/c1-16-21(28-20-7-6-18(12-19(20)25)33(5,30)31)26-15-27-22(16)29(4)17-8-10-24(11-9-17)13-23(2,3)32-14-24/h6-7,12,15,17H,8-11,13-14H2,1-5H3,(H,26,27,28)/t17-,24+
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| InChIKey |
VKRMBPKWRXRUID-SMQSCJQKSA-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