General Information of the Compound
| Compound ID |
CP0176626
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| Compound Name |
(E)-N-[2-(benzylamino)-1-(5-methylpyrimidin-2-yl)-2-oxoethyl]-N-cyclopropyl-4-(4-methylphenyl)-4-oxobut-2-enamide
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| Structure |
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| Formula |
C28H28N4O3
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| Molecular Weight |
468.557
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)\C=C\C(=O)N(C(C(=O)NCc1ccccc1)c1ncc(C)cn1)C1CC1
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| InChI |
InChI=1S/C28H28N4O3/c1-19-8-10-22(11-9-19)24(33)14-15-25(34)32(23-12-13-23)26(27-29-16-20(2)17-30-27)28(35)31-18-21-6-4-3-5-7-21/h3-11,14-17,23,26H,12-13,18H2,1-2H3,(H,31,35)/b15-14+
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| InChIKey |
ZMLWDTSYBVZHLZ-CCEZHUSRSA-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