General Information of the Compound
| Compound ID |
CP0446553
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| Compound Name |
5-(4-chloro-2-methoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C24H30ClFN4O
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| Molecular Weight |
444.982
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| Canonical SMILES |
CCCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C24H30ClFN4O/c1-5-7-8-21(17-9-12-19(26)13-10-17)30(15-6-2)24-27-23(29(3)28-24)20-14-11-18(25)16-22(20)31-4/h9-14,16,21H,5-8,15H2,1-4H3
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| InChIKey |
SYBPBURKXDRONN-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