General Information of the Compound
| Compound ID |
CP0508825
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| Compound Name |
CHEMBL1667949
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| Formula |
C36H30FN7O
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| Molecular Weight |
595.682
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C36H30FN7O/c37-30-27(13-10-22-11-14-29(42-31(22)30)21-4-2-1-3-5-21)32-33-34(38)40-18-19-44(33)35(43-32)23-6-8-24(9-7-23)36(45)41-26-12-15-28-25(20-26)16-17-39-28/h1-5,10-20,23-24,39H,6-9H2,(H2,38,40)(H,41,45)/t23-,24-
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| InChIKey |
FSNHRWXQSVTSFB-RQNOJGIXSA-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