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CHEBI:760392 - pamirtecan
| Formula | C55H60FN9O13 |
| Net Charge | 0 |
| Average Mass | 1074.133 |
| Monoisotopic Mass | 1073.42946 |
| SMILES | CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)[C@H]1C[C@@H](OCNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)CCCCCN2C(=O)C=CC2=O)C1)CC3 |
| InChI | InChI=1S/C55H60FN9O13/c1-3-55(76)36-21-41-50-34(26-65(41)53(74)35(36)27-77-54(55)75)49-38(14-13-33-29(2)37(56)22-39(62-50)48(33)49)63-51(72)31-19-32(20-31)78-28-60-44(68)24-59-52(73)40(18-30-10-6-4-7-11-30)61-45(69)25-58-43(67)23-57-42(66)12-8-5-9-17-64-46(70)15-16-47(64)71/h4,6-7,10-11,15-16,21-22,31-32,38,40,76H,3,5,8-9,12-14,17-20,23-28H2,1-2H3,(H,57,66)(H,58,67)(H,59,73)(H,60,68)(H,61,69)(H,63,72)/t31-,32+,38-,40-,55-/m0/s1 |
| InChIKey | JPJKEHSBLMGNGL-RMRLAMMMSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pamirtecan (CHEBI:760392) has role antineoplastic agent (CHEBI:35610) |
| pamirtecan (CHEBI:760392) is a polypeptide (CHEBI:15841) |
| Synonyms | Source |
|---|---|
| DB-1303 Linker-Payload | ChEMBL |
| HM-822_8 | ChEMBL |
| HM8228 | ChEMBL |
| HY-X0271 | ChEMBL |
| L101P1003 | ChEMBL |
| Pamirtecan | ChEMBL |