| PDB CCD ID: | W89 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H26 N4 O3 |
| InChI: | InChI=1S/C27H26N4O3/c32-26(21-11-5-4-10-20(21)18-31-14-16-34-17-15-31)30-25-27(33)28-23-13-7-6-12-22(23)24(29-25)19-8-2-1-3-9-19/h1-13,25H,14-18H2,(H,28,33)(H,30,32)/t25-/m1/s1 |
| InChIKey: | NBCFKFUKUXVZQS-RUZDIDTESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1Nc2ccccc2C(=N[CH]1NC(=O)c3ccccc3CN4CCOCC4)c5ccccc5 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2=N[C@@H](C(=O)Nc3c2cccc3)NC(=O)c4ccccc4CN5CCOCC5 | | CACTVS 3.385 | O=C1Nc2ccccc2C(=N[C@@H]1NC(=O)c3ccccc3CN4CCOCC4)c5ccccc5 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C2=NC(C(=O)Nc3c2cccc3)NC(=O)c4ccccc4CN5CCOCC5 |
|
| Name: | 2-(morpholin-4-ylmethyl)-~{N}-[(3~{S})-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide |
| ZINC: | ZINC000040563713 |
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