General Information of the Compound
| Compound ID |
CP0399865
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| Compound Name |
US8962837, 35
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| Structure |
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| Formula |
C14H15N5O3
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| Molecular Weight |
301.306
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1OC1CCN(CC1)c1nccnn1
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| InChI |
InChI=1S/C14H15N5O3/c20-19(21)12-3-1-2-4-13(12)22-11-5-9-18(10-6-11)14-15-7-8-16-17-14/h1-4,7-8,11H,5-6,9-10H2
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| InChIKey |
MELJVOAVLZLNLL-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