PDB CCD ID: | MDC |
Number of entries in BioLiP: | 4 |
Chemical formula: | C20 H21 N3 O5 |
InChI: | InChI=1S/C20H21N3O5/c1-3-22(4-2)14-6-5-13-11-15(20(27)28-16(13)12-14)19(26)21-9-10-23-17(24)7-8-18(23)25/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,26)/b10-9- |
InChIKey: | OJBZDUMTXGGVSP-KTKRTIGZSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | CCN(CC)c1ccc2C=C(C(=O)N\C=C/N3C(=O)CCC3=O)C(=O)Oc2c1 | ACDLabs 10.04 | O=C1N(C(=O)CC1)\C=C/NC(=O)C2=Cc3c(OC2=O)cc(cc3)N(CC)CC | OpenEye OEToolkits 1.5.0 | CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)NC=CN3C(=O)CCC3=O | CACTVS 3.341 | CCN(CC)c1ccc2C=C(C(=O)NC=CN3C(=O)CCC3=O)C(=O)Oc2c1 |
|
Name: | N-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-3-CARBOXAMIDE |
DrugBank: | DB02799 |
ZINC: | ZINC000033821404 |