General Information of the Compound
| Compound ID |
CP0580246
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| Compound Name |
1-(7-nitro-1,2,3,4-tetrahydroacridin-9-yl)pyrazolo[3,4-b]pyridin-3-amine
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| Structure |
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| Formula |
C19H16N6O2
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| Molecular Weight |
360.377
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| Canonical SMILES |
Nc1nn(-c2c3CCCCc3nc3ccc(cc23)[N+]([O-])=O)c2ncccc12
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| InChI |
InChI=1S/C19H16N6O2/c20-18-13-5-3-9-21-19(13)24(23-18)17-12-4-1-2-6-15(12)22-16-8-7-11(25(26)27)10-14(16)17/h3,5,7-10H,1-2,4,6H2,(H2,20,23)
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| InChIKey |
QELNVWZDMSBUAV-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