General Information of the Compound
| Compound ID |
CP0523643
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| Compound Name |
2-[3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]-1H-1,2,4-triazol-5-yl]propyl]-1,8-naphthyridine
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| Structure |
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| Formula |
C25H19ClFN5
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| Molecular Weight |
443.913
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| Canonical SMILES |
Fc1ccc(cc1Cl)-c1ccc(cc1)-c1nnc(CCCc2ccc3cccnc3n2)[nH]1
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| InChI |
InChI=1S/C25H19ClFN5/c26-21-15-19(11-13-22(21)27)16-6-8-18(9-7-16)25-30-23(31-32-25)5-1-4-20-12-10-17-3-2-14-28-24(17)29-20/h2-3,6-15H,1,4-5H2,(H,30,31,32)
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| InChIKey |
LNDNFYQUYLNMEY-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