General Information of the Compound
| Compound ID |
CP0546413
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| Compound Name |
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-3-yl]methanone
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| Structure |
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| Formula |
C26H21ClF3N5O2
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| Molecular Weight |
527.934
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-c1noc(n1)-c1ccc(cn1)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C26H21ClF3N5O2/c27-21-8-1-17(2-9-21)16-34-11-13-35(14-12-34)25(36)19-5-10-22(31-15-19)24-32-23(33-37-24)18-3-6-20(7-4-18)26(28,29)30/h1-10,15H,11-14,16H2
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| InChIKey |
RXLRDUWCUJQSGC-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