General Information of the Compound
| Compound ID |
CP0550697
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| Compound Name |
6-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
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| Structure |
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| Formula |
C25H29F2N3O3
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| Molecular Weight |
457.521
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| Canonical SMILES |
FC(F)CN1CCC(CC1)c1ccc2n(C(=O)NCCCCc3ccccc3)c(=O)oc2c1
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| InChI |
InChI=1S/C25H29F2N3O3/c26-23(27)17-29-14-11-19(12-15-29)20-9-10-21-22(16-20)33-25(32)30(21)24(31)28-13-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-10,16,19,23H,4-5,8,11-15,17H2,(H,28,31)
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| InChIKey |
DZAARYBOGFMWGT-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