General Information of the Compound
| Compound ID |
CP0571417
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| Compound Name |
5-[3-[3-(2-chloro-4-fluorophenyl)pyrrolidin-1-yl]-5-(methoxymethyl)-1,2,4-triazol-4-yl]-2-methoxypyridine
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| Structure |
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| Formula |
C20H21ClFN5O2
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| Molecular Weight |
417.872
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| Canonical SMILES |
COCc1nnc(N2CCC(C2)c2ccc(F)cc2Cl)n1-c1ccc(OC)nc1
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| InChI |
InChI=1S/C20H21ClFN5O2/c1-28-12-18-24-25-20(27(18)15-4-6-19(29-2)23-10-15)26-8-7-13(11-26)16-5-3-14(22)9-17(16)21/h3-6,9-10,13H,7-8,11-12H2,1-2H3
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| InChIKey |
RSCIYXYYCBHILF-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