General Information of the Compound
| Compound ID |
CP0516387
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| Compound Name |
US9314468, Table 7, Compound 49
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| Structure |
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| Formula |
C22H25N5
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| Molecular Weight |
359.477
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| Canonical SMILES |
NCCCCN(Cc1ccccn1)Cc1nccc2c3ccccc3[nH]c12
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| InChI |
InChI=1S/C22H25N5/c23-11-4-6-14-27(15-17-7-3-5-12-24-17)16-21-22-19(10-13-25-21)18-8-1-2-9-20(18)26-22/h1-3,5,7-10,12-13,26H,4,6,11,14-16,23H2
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| InChIKey |
JPODKGBHEFBGOW-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