General Information of the Compound
| Compound ID |
CP0486426
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| Compound Name |
[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
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| Structure |
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| Formula |
C27H27N3O4
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| Molecular Weight |
457.53
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| Canonical SMILES |
COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3cn4ccccc4n3)cc2)c(OC)c1
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| InChI |
InChI=1S/C27H27N3O4/c1-32-22-12-13-23(25(16-22)33-2)24-6-5-15-30(24)27(31)19-8-10-21(11-9-19)34-18-20-17-29-14-4-3-7-26(29)28-20/h3-4,7-14,16-17,24H,5-6,15,18H2,1-2H3/t24-/m1/s1
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| InChIKey |
FZAISNFIIYVWPY-XMMPIXPASA-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