General Information of the Compound
| Compound ID |
CP0043190
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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-phenylbenzamide
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| Structure |
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| Formula |
C31H27N5O3
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| Molecular Weight |
517.589
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)-c3ccccc3)nc2c1
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| InChI |
InChI=1S/C31H27N5O3/c1-35(30(39)24-10-6-3-7-11-24)25-16-17-27-26(20-25)33-31(36(27)19-18-28(32)37)34-29(38)23-14-12-22(13-15-23)21-8-4-2-5-9-21/h2-17,20H,18-19H2,1H3,(H2,32,37)(H,33,34,38)
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| InChIKey |
OVAXMETXFSJZJR-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