EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:759978 - mocaciclib
| Formula | C33H36FN9O2 |
| Net Charge | 0 |
| Average Mass | 609.710 |
| Monoisotopic Mass | 609.29760 |
| SMILES | C=C(F)C(=O)Nc1ccc2c(-c3ccccc3CNc3nc(NC[C@H]4CCNC[C@@H]4O)nc4c(C(C)C)cnn34)nccc2c1 |
| InChI | InChI=1S/C33H36FN9O2/c1-19(2)27-17-39-43-30(27)41-32(37-16-23-10-12-35-18-28(23)44)42-33(43)38-15-22-6-4-5-7-25(22)29-26-9-8-24(40-31(45)20(3)34)14-21(26)11-13-36-29/h4-9,11,13-14,17,19,23,28,35,44H,3,10,12,15-16,18H2,1-2H3,(H,40,45)(H2,37,38,41,42)/t23-,28+/m1/s1 |
| InChIKey | PDKSTEKFCWNJFC-LXFBAYGMSA-N |
| Roles Classification |
|---|
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mocaciclib (CHEBI:759978) has role antineoplastic agent (CHEBI:35610) |
| mocaciclib (CHEBI:759978) is a isoquinolines (CHEBI:24922) |
| INN | Source |
|---|---|
| mocaciclib | WHO MedNet |
| Synonym | Source |
|---|---|
| CDK7-IN-21 | ChEMBL |