General Information of the Compound
| Compound ID |
CP0412153
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| Compound Name |
US9169224, 154
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| Structure |
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| Formula |
C16H17Br2N5O
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| Molecular Weight |
455.154
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| Canonical SMILES |
Brc1ccc(CN2CCN(CC2)C(=O)Nc2ccncn2)cc1Br
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| InChI |
InChI=1S/C16H17Br2N5O/c17-13-2-1-12(9-14(13)18)10-22-5-7-23(8-6-22)16(24)21-15-3-4-19-11-20-15/h1-4,9,11H,5-8,10H2,(H,19,20,21,24)
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| InChIKey |
VZWZITBWGRWCFT-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