General Information of the Compound
| Compound ID |
CP0463235
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| Compound Name |
1-methyl-5-(1-methyl-2-oxo-5,5-diphenyl-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-7-yl)-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C28H23N3O2
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| Molecular Weight |
433.511
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| Canonical SMILES |
CN1c2ccc(cc2C(OCC1=O)(c1ccccc1)c1ccccc1)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C28H23N3O2/c1-30-23(18-29)14-16-25(30)20-13-15-26-24(17-20)28(21-9-5-3-6-10-21,22-11-7-4-8-12-22)33-19-27(32)31(26)2/h3-17H,19H2,1-2H3
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| InChIKey |
WTJKKEJFBOOIPY-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