General Information of the Compound
| Compound ID |
CP0579798
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| Compound Name |
2-[4-[[4-[(E)-3-amino-3-oxoprop-1-enyl]phenyl]methoxy]phenyl]-1H-benzimidazole-4-carboxamide
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| Structure |
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| Formula |
C24H20N4O3
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| Molecular Weight |
412.449
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| Canonical SMILES |
NC(=O)\C=C\c1ccc(COc2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)cc1
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| InChI |
InChI=1S/C24H20N4O3/c25-21(29)13-8-15-4-6-16(7-5-15)14-31-18-11-9-17(10-12-18)24-27-20-3-1-2-19(23(26)30)22(20)28-24/h1-13H,14H2,(H2,25,29)(H2,26,30)(H,27,28)/b13-8+
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| InChIKey |
JSGLUNPVTCZSDP-MDWZMJQESA-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