General Information of the Compound
| Compound ID |
CP0470168
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| Compound Name |
US9187437, 34
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
[O-][n+]1ccc(cc1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
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| InChI |
InChI=1S/C21H23N3O2/c25-24-15-10-17(11-16-24)20-22-19(26-23-20)9-14-21(12-5-2-6-13-21)18-7-3-1-4-8-18/h1,3-4,7-8,10-11,15-16H,2,5-6,9,12-14H2
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| InChIKey |
VNDSGDBONNGTAJ-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