General Information of the Compound
| Compound ID |
CP0134484
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| Compound Name |
(2Z)-3-oxo-2-[[4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]phenyl]methylidene]-1-benzofuran-7-carboxamide
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| Structure |
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| Formula |
C23H16F3N5O4
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| Molecular Weight |
483.406
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| Canonical SMILES |
NC(=O)c1cccc2C(=O)\C(Oc12)=C\c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2C(F)(F)F
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| InChI |
InChI=1S/C23H16F3N5O4/c24-23(25,26)22-29-28-17-11-30(8-9-31(17)22)21(34)13-6-4-12(5-7-13)10-16-18(32)14-2-1-3-15(20(27)33)19(14)35-16/h1-7,10H,8-9,11H2,(H2,27,33)/b16-10-
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| InChIKey |
MABHSRSWSCMJOM-YBEGLDIGSA-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
Protein ID: PT02202, Poly [ADP-ribose] polymerase tankyrase-1
Protein ID: PT01425, Poly [ADP-ribose] polymerase tankyrase-2