General Information of the Compound
| Compound ID |
CP0575559
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| Compound Name |
(E)-3-[4-(trifluoromethoxy)phenyl]-1-[4-[6-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonyl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C29H21F6N5O4
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| Molecular Weight |
617.506
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| Canonical SMILES |
FC(F)(F)Oc1ccc(\C=C\C(=O)N2CCN(CC2)C(=O)c2ccc(nc2)-c2nc(no2)-c2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C29H21F6N5O4/c30-28(31,32)21-7-4-19(5-8-21)25-37-26(44-38-25)23-11-6-20(17-36-23)27(42)40-15-13-39(14-16-40)24(41)12-3-18-1-9-22(10-2-18)43-29(33,34)35/h1-12,17H,13-16H2/b12-3+
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| InChIKey |
IAOVNJHSFSFVEG-KGVSQERTSA-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