General Information of the Compound
| Compound ID |
CP0440687
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| Compound Name |
6-(2-chloro-4-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]-3,6-diazabicyclo[3.2.0]heptane
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| Structure |
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| Formula |
C21H22ClFN6O2
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| Molecular Weight |
444.898
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| Canonical SMILES |
COCc1nnc(N2CC3CN(C3C2)c2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
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| InChI |
InChI=1S/C21H22ClFN6O2/c1-30-12-19-25-26-21(29(19)15-4-6-20(31-2)24-8-15)27-9-13-10-28(18(13)11-27)17-5-3-14(23)7-16(17)22/h3-8,13,18H,9-12H2,1-2H3
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| InChIKey |
SXNDOUKMAHORJF-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