General Information of the Compound
| Compound ID |
CP0552608
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| Compound Name |
CHEMBL4248698
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| Formula |
C25H30FN7O4S
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| Molecular Weight |
543.625
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| Canonical SMILES |
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1ncnc2c(Nc3ccc(cc3F)S(C)(=O)=O)ncnc12
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| InChI |
InChI=1S/C25H30FN7O4S/c1-25(2,3)37-24(34)33-15-5-6-16(33)10-14(9-15)31-22-20-21(28-12-29-22)23(30-13-27-20)32-19-8-7-17(11-18(19)26)38(4,35)36/h7-8,11-16H,5-6,9-10H2,1-4H3,(H,27,30,32)(H,28,29,31)/t14-,15-,16+
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| InChIKey |
MMTWWTGQVROIFX-PHZGNYQRSA-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