29Y
(1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
Find entries where: 29Y
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (1S,2S)-2-{4-[(dimethylamino)methyl]phenyl}-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide |
Identifiers | (1S,2S)-2-[4-[(dimethylamino)methyl]phenyl]-N-[6-(1H-pyrazol-4-yl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide |
Formula | C23 H23 N5 O S |
Molecular Weight | 417.527 |
Type | NON-POLYMER |
Isomeric SMILES | CN(C)Cc1ccc(cc1)[C@H]2C[C@@H]2C(=O)Nc3nc4ccc(cc4s3)c5c[nH]nc5 |
InChI | InChI=1S/C23H23N5OS/c1-28(2)13-14-3-5-15(6-4-14)18-10-19(18)22(29)27-23-26-20-8-7-16(9-21(20)30-23)17-11-24-25-12-17/h3-9,11-12,18-19H,10,13H2,1-2H3,(H,24,25)(H,26,27,29)/t18-,19+/m1/s1 |
InChIKey | WIUYFJQWJMBTCE-MOPGFXCFSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 53 |
Chiral Atom Count | 2 |
Bond Count | 57 |
Aromatic Bond Count | 21 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3086536 |
PubChem | 71777717 |
ChEMBL | CHEMBL3086536 |