CHEBI:102153 - LSM-13512

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ChEBI Name LSM-13512
ChEBI ID CHEBI:102153
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H30N6O4
Net Charge 0
Average Mass 466.534
Monoisotopic Mass 466.23285
InChI InChI=1S/C24H30N6O4/c1-28(2)23(33)20-17(12-31)19-11-29-18(8-7-16(22(29)32)14-9-25-13-26-10-14)21(20)30(19)24(34)27-15-5-3-4-6-15/h7-10,13,15,17,19-21,31H,3-6,11-12H2,1-2H3,(H,27,34)/t17-,19-,20+,21+/m1/s1
InChIKey IOQXCYVHGHXSII-PBASOCQRSA-N
SMILES CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CN=CN=C4)[C@@H]1N2C(=O)NC5CCCC5)CO
ChEBI Ontology
Outgoing LSM-13512 (CHEBI:102153) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-13512 LINCS
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