General Information of the Compound
| Compound ID |
CP0527491
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| Compound Name |
N-[(E,2R)-1-(4-chlorophenyl)-5-(cycloheptylamino)-5-oxopent-3-en-2-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C28H29ClF6N2O2
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| Molecular Weight |
574.993
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| Canonical SMILES |
CN([C@H](Cc1ccc(Cl)cc1)\C=C\C(=O)NC1CCCCCC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H29ClF6N2O2/c1-37(26(39)19-15-20(27(30,31)32)17-21(16-19)28(33,34)35)24(14-18-8-10-22(29)11-9-18)12-13-25(38)36-23-6-4-2-3-5-7-23/h8-13,15-17,23-24H,2-7,14H2,1H3,(H,36,38)/b13-12+/t24-/m0/s1
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| InChIKey |
FUTUUAUFFGJELS-BYUVYSIJSA-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