General Information of the Compound
| Compound ID |
CP0515557
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| Compound Name |
US9029360, 14
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| Structure |
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| Formula |
C16H14BrN5O
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| Molecular Weight |
372.226
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| Canonical SMILES |
Brc1cnc2cc(nn2c1)C(=O)N1CCc2cccnc2CC1
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| InChI |
InChI=1S/C16H14BrN5O/c17-12-9-19-15-8-14(20-22(15)10-12)16(23)21-6-3-11-2-1-5-18-13(11)4-7-21/h1-2,5,8-10H,3-4,6-7H2
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| InChIKey |
TZWRDBPOCJQISB-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