General Information of the Compound
| Compound ID |
CP0229968
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| Compound Name |
[1-(2,4-difluoro-5-hydroxybenzoyl)piperidin-4-yl]-(4-phenylsulfanylphenyl)methanone
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| Formula |
C25H21F2NO3S
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| Molecular Weight |
453.51
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| Canonical SMILES |
Oc1cc(C(=O)N2CCC(CC2)C(=O)c2ccc(Sc3ccccc3)cc2)c(F)cc1F
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| InChI |
InChI=1S/C25H21F2NO3S/c26-21-15-22(27)23(29)14-20(21)25(31)28-12-10-17(11-13-28)24(30)16-6-8-19(9-7-16)32-18-4-2-1-3-5-18/h1-9,14-15,17,29H,10-13H2
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| InChIKey |
ZYNSPVDHQWDCDI-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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| ChEMBL ID | |||||||||||||||||||
Table of Molecular Bioactivities Related to the Compound