General Information of the Compound
| Compound ID |
CP0564954
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| Compound Name |
BDBM50521256
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| Structure |
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| Formula |
C18H14BrN5O2
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| Molecular Weight |
412.247
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| Canonical SMILES |
Brc1cccc2c1OC\C=C\Cn1cnnc1-c1cccc(NC2=O)n1
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| InChI |
InChI=1S/C18H14BrN5O2/c19-13-6-3-5-12-16(13)26-10-2-1-9-24-11-20-23-17(24)14-7-4-8-15(21-14)22-18(12)25/h1-8,11H,9-10H2,(H,21,22,25)/b2-1+
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| InChIKey |
KOQWJESDFRBKBX-OWOJBTEDSA-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