General Information of the Compound
| Compound ID |
CP0558883
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| Compound Name |
N3-(3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1-(pyridin-2-yl)-1H-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C19H22FN7O
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| Molecular Weight |
383.431
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| Canonical SMILES |
Nc1nc(Nc2ccc(OCCN3CCCC3)c(F)c2)nn1-c1ccccn1
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| InChI |
InChI=1S/C19H22FN7O/c20-15-13-14(6-7-16(15)28-12-11-26-9-3-4-10-26)23-19-24-18(21)27(25-19)17-5-1-2-8-22-17/h1-2,5-8,13H,3-4,9-12H2,(H3,21,23,24,25)
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| InChIKey |
KBRBXIZYOCIACM-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