General Information of the Compound
| Compound ID |
CP0551497
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| Compound Name |
(Z)-2-cyano-N-[2-(4-cyanobenzoyl)-5-[(E)-4-(diethylamino)-4-oxobut-2-en-2-yl]-1-benzofuran-3-yl]-3-hydroxybut-2-enamide
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| Structure |
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| Formula |
C29H26N4O5
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| Molecular Weight |
510.55
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| Canonical SMILES |
CCN(CC)C(=O)\C=C(/C)c1ccc2oc(C(=O)c3ccc(cc3)C#N)c(NC(=O)C(\C#N)=C(\C)O)c2c1
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| InChI |
InChI=1S/C29H26N4O5/c1-5-33(6-2)25(35)13-17(3)21-11-12-24-22(14-21)26(32-29(37)23(16-31)18(4)34)28(38-24)27(36)20-9-7-19(15-30)8-10-20/h7-14,34H,5-6H2,1-4H3,(H,32,37)/b17-13+,23-18-
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| InChIKey |
XNKVKPDZYYECOF-DNHURMHYSA-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: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT03053, Cysteinyl leukotriene receptor 2