General Information of the Compound
| Compound ID |
CP0400126
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| Compound Name |
CHEMBL2012619
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| Formula |
C25H26FN3O3S
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| Molecular Weight |
467.566
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(CCc2ccc(F)cc2)s1
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| InChI |
InChI=1S/C25H26FN3O3S/c26-21-12-3-16(4-13-21)5-14-22-28-29-25(33-22)27-24(32)20-10-8-19(9-11-20)18-6-1-17(2-7-18)15-23(30)31/h3-4,8-13,17-18H,1-2,5-7,14-15H2,(H,30,31)(H,27,29,32)/t17-,18-
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| InChIKey |
ARFRDGVIZYQWQH-IYARVYRRSA-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