General Information of the Compound
| Compound ID |
CP0095786
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| Compound Name |
[3-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]azetidin-1-yl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methanone
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| Structure |
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| Formula |
C24H26FN5O3
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| Molecular Weight |
451.502
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| Canonical SMILES |
CN1CCN(Cc2ccc(OC3CN(C3)C(=O)c3nnc(o3)-c3ccccc3)cc2F)CC1
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| InChI |
InChI=1S/C24H26FN5O3/c1-28-9-11-29(12-10-28)14-18-7-8-19(13-21(18)25)32-20-15-30(16-20)24(31)23-27-26-22(33-23)17-5-3-2-4-6-17/h2-8,13,20H,9-12,14-16H2,1H3
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| InChIKey |
UTJXTQGALFXJGW-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