General Information of the Compound
| Compound ID |
CP0416029
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| Compound Name |
(2Z)-3-oxo-2-[[4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carbonyl]phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C24H18F3N5O4S
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| Molecular Weight |
529.5
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(s1)C(F)(F)F
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| InChI |
InChI=1S/C24H18F3N5O4S/c25-24(26,27)22-29-30-23(37-22)32-10-8-31(9-11-32)21(35)14-6-4-13(5-7-14)12-17-18(33)15-2-1-3-16(20(28)34)19(15)36-17/h1-7,12H,8-11H2,(H2,28,34)/b17-12-
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| InChIKey |
XJPJZNWCAKLHFB-ATVHPVEESA-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