General Information of the Compound
| Compound ID |
CP0466776
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| Compound Name |
5-((5R)-5-methyl-2-oxo-5-(thiophen-3-yl)-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 |
C19H15N3O2S
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| Molecular Weight |
349.415
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| Canonical SMILES |
C[C@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1ccsc1
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| InChI |
InChI=1S/C19H15N3O2S/c1-19(13-6-7-25-11-13)15-8-12(16-5-3-14(9-20)21-16)2-4-17(15)22-18(23)10-24-19/h2-8,11,21H,10H2,1H3,(H,22,23)/t19-/m0/s1
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| InChIKey |
NMFFKMGRIJPQTE-IBGZPJMESA-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