General Information of the Compound
| Compound ID |
CP0440090
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| Compound Name |
methyl 2-[4-[4-[(Z)-(7-carbamoyl-3-oxo-1-benzofuran-2-ylidene)methyl]benzoyl]piperazin-1-yl]pyrimidine-5-carboxylate
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| Structure |
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| Formula |
C27H23N5O6
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| Molecular Weight |
513.51
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| Canonical SMILES |
COC(=O)c1cnc(nc1)N1CCN(CC1)C(=O)c1ccc(\C=C2/Oc3c(cccc3C(N)=O)C2=O)cc1
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| InChI |
InChI=1S/C27H23N5O6/c1-37-26(36)18-14-29-27(30-15-18)32-11-9-31(10-12-32)25(35)17-7-5-16(6-8-17)13-21-22(33)19-3-2-4-20(24(28)34)23(19)38-21/h2-8,13-15H,9-12H2,1H3,(H2,28,34)/b21-13-
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| InChIKey |
VZSJUSIMBFSOKB-BKUYFWCQSA-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