General Information of the Compound
| Compound ID |
CP0532627
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| Compound Name |
CHEMBL1667937
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| Formula |
C28H24FN5O2
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| Molecular Weight |
481.531
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc4ccc(nc4c3F)-c3ccccc3)c12)[C@H]1CC[C@@H](CC1)C(O)=O
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| InChI |
InChI=1S/C28H24FN5O2/c29-22-20(12-10-17-11-13-21(32-23(17)22)16-4-2-1-3-5-16)24-25-26(30)31-14-15-34(25)27(33-24)18-6-8-19(9-7-18)28(35)36/h1-5,10-15,18-19H,6-9H2,(H2,30,31)(H,35,36)/t18-,19-
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| InChIKey |
NEGAWQQFSSYDOP-WGSAOQKQSA-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