General Information of the Compound
| Compound ID |
CP0532624
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| Compound Name |
CHEMBL1667936
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| Formula |
C28H26FN5O
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| Molecular Weight |
467.548
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@H](CO)CC1
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| InChI |
InChI=1S/C28H26FN5O/c29-23-21(12-10-19-11-13-22(32-24(19)23)18-4-2-1-3-5-18)25-26-27(30)31-14-15-34(26)28(33-25)20-8-6-17(16-35)7-9-20/h1-5,10-15,17,20,35H,6-9,16H2,(H2,30,31)/t17-,20-
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| InChIKey |
DBVAFYOHTCCGQW-IRJFHVNHSA-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