General Information of the Compound
| Compound ID |
CP0549084
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| Compound Name |
1-[(2-chloro-4-fluorophenyl)methyl]-4-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]piperazine
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| Structure |
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| Formula |
C21H24ClFN6O2
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| Molecular Weight |
446.914
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| Canonical SMILES |
COCc1nnc(N2CCN(Cc3ccc(F)cc3Cl)CC2)n1-c1ccc(OC)nc1
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| InChI |
InChI=1S/C21H24ClFN6O2/c1-30-14-19-25-26-21(29(19)17-5-6-20(31-2)24-12-17)28-9-7-27(8-10-28)13-15-3-4-16(23)11-18(15)22/h3-6,11-12H,7-10,13-14H2,1-2H3
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| InChIKey |
YJLWKCKMMHYJGA-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