General Information of the Compound
| Compound ID |
CP0257954
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| Compound Name |
CHEMBL1667948
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| Formula |
C35H29FN8O
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| Molecular Weight |
596.67
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(=O)Nc1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C35H29FN8O/c36-28-24(16-14-21-15-17-25(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-44(31)33(42-30)22-10-12-23(13-11-22)34(45)43-35-40-26-8-4-5-9-27(26)41-35/h1-9,14-19,22-23H,10-13H2,(H2,37,38)(H2,40,41,43,45)/t22-,23-
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| InChIKey |
ZBWFGEZHUGGSNJ-YHBQERECSA-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