General Information of the Compound
| Compound ID |
CP0254698
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| Compound Name |
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(benzyloxy)thiophene-2-carboxamide
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| Structure |
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| Formula |
C30H27N5O4S
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| Molecular Weight |
553.644
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(OCc4ccccc4)s3)nc2c1
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| InChI |
InChI=1S/C30H27N5O4S/c1-34(29(38)21-10-6-3-7-11-21)22-12-13-24-23(18-22)32-30(35(24)17-16-26(31)36)33-28(37)25-14-15-27(40-25)39-19-20-8-4-2-5-9-20/h2-15,18H,16-17,19H2,1H3,(H2,31,36)(H,32,33,37)
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| InChIKey |
WPELVGOARBYVTB-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