General Information of the Compound
| Compound ID |
CP0442607
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| Compound Name |
5-(1,5-dimethyl-2-oxo-5-(thiophen-2-yl)-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-7-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C21H19N3O2S
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| Molecular Weight |
377.469
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| Canonical SMILES |
CN1c2ccc(cc2C(C)(OCC1=O)c1cccs1)-c1ccc(C#N)n1C
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| InChI |
InChI=1S/C21H19N3O2S/c1-21(19-5-4-10-27-19)16-11-14(17-9-7-15(12-22)23(17)2)6-8-18(16)24(3)20(25)13-26-21/h4-11H,13H2,1-3H3
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| InChIKey |
QFQGXJAEODJCRS-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