General Information of the Compound
| Compound ID |
CP0413500
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| Compound Name |
US9150519, 1-2
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| Structure |
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| Formula |
C18H22N4O2
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| Molecular Weight |
326.4
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| Canonical SMILES |
Oc1ccc(NC(=O)c2cc(NCC3CCCCC3)ncn2)cc1
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| InChI |
InChI=1S/C18H22N4O2/c23-15-8-6-14(7-9-15)22-18(24)16-10-17(21-12-20-16)19-11-13-4-2-1-3-5-13/h6-10,12-13,23H,1-5,11H2,(H,22,24)(H,19,20,21)
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| InChIKey |
JQIKJVHTIFJVJZ-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