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Chemistry

Mol. Mass

451.6043

ALogP

3.19

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=C3C2=CC=C4)N(CC=C)C1
  • InChIKey: KORNTPPJEAJQIU-KJXAQDMKSA-N
    1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201087   ChEMBL
cabergoline

LL60K9J05T   NCATS
cabergoline *

Cabergoline   Wikipedia

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