General Information of the Compound
| Compound ID |
CP0236292
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| Compound Name |
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-methoxybenzamide
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| Structure |
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| Formula |
C26H25N5O4
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| Molecular Weight |
471.517
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| Canonical SMILES |
COc1ccc(cc1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H25N5O4/c1-30(25(34)18-6-4-3-5-7-18)19-10-13-22-21(16-19)28-26(31(22)15-14-23(27)32)29-24(33)17-8-11-20(35-2)12-9-17/h3-13,16H,14-15H2,1-2H3,(H2,27,32)(H,28,29,33)
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| InChIKey |
FMLPBXPSIJPCHY-UHFFFAOYSA-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