General Information of the Compound
| Compound ID |
CP0387613
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| Compound Name |
aminonaphthyridine-based compound, 31
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| Structure |
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| Formula |
C22H23F3N4O
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| Molecular Weight |
416.447
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| Canonical SMILES |
CC(C)N(C)c1ccc2nc(NC(=O)CCc3ccc(cc3)C(F)(F)F)ccc2n1
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| InChI |
InChI=1S/C22H23F3N4O/c1-14(2)29(3)20-12-10-17-18(27-20)9-11-19(26-17)28-21(30)13-6-15-4-7-16(8-5-15)22(23,24)25/h4-5,7-12,14H,6,13H2,1-3H3,(H,26,28,30)
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| InChIKey |
WBEKTYLGWPSFMA-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