General Information of the Compound
| Compound ID |
CP0096219
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| Compound Name |
BDBM50505948
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| Structure |
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| Formula |
C18H16FN5O2
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| Molecular Weight |
353.357
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| Canonical SMILES |
Fc1ccc2c(OCCCCn3cnnc3-c3cccc(NC2=O)n3)c1
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| InChI |
InChI=1S/C18H16FN5O2/c19-12-6-7-13-15(10-12)26-9-2-1-8-24-11-20-23-17(24)14-4-3-5-16(21-14)22-18(13)25/h3-7,10-11H,1-2,8-9H2,(H,21,22,25)
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| InChIKey |
ZWGAMHPQDKNAGC-UHFFFAOYSA-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