General Information of the Compound
| Compound ID |
CP0146532
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| Compound Name |
[3-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]azetidin-1-yl]-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
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| Structure |
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| Formula |
C25H28FN5O4
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| Molecular Weight |
481.528
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(o1)C(=O)N1CC(C1)Oc1ccc(CN2CCN(C)CC2)c(F)c1
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| InChI |
InChI=1S/C25H28FN5O4/c1-29-9-11-30(12-10-29)14-18-5-8-20(13-22(18)26)34-21-15-31(16-21)25(32)24-28-27-23(35-24)17-3-6-19(33-2)7-4-17/h3-8,13,21H,9-12,14-16H2,1-2H3
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| InChIKey |
JZBRROOMXUTJLB-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