General Information of the Compound
| Compound ID |
CP0303923
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| Compound Name |
5-[4-[(1R,2R)-2-[(4-ethylsulfonyl-2-fluorophenyl)methoxymethyl]cyclopropyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
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| Structure |
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| Formula |
C23H32FN3O4S
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| Molecular Weight |
465.591
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2nc(no2)C(C)C)c(F)c1
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| InChI |
InChI=1S/C23H32FN3O4S/c1-4-32(28,29)19-6-5-17(21(24)12-19)13-30-14-18-11-20(18)16-7-9-27(10-8-16)23-25-22(15(2)3)26-31-23/h5-6,12,15-16,18,20H,4,7-11,13-14H2,1-3H3/t18-,20+/m0/s1
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| InChIKey |
QWVYKMNKTKZAES-AZUAARDMSA-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