VA8
~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide
Find entries where: VA8
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | ~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide |
Identifiers | ~{N}-[[(3~{R})-1-[6-(3~{H}-benzimidazol-4-ylmethylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-4-[(4,4-dimethylpiperidin-1-yl)methyl]benzamide |
Formula | C33 H42 N8 O2 |
Molecular Weight | 582.739 |
Type | NON-POLYMER |
Isomeric SMILES | CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NCc5cccc6c5[nH]cn6)O)C |
InChI | InChI=1S/C33H42N8O2/c1-32(2)12-15-40(16-13-32)19-24-7-9-25(10-8-24)31(42)35-20-33(43)11-4-14-41(21-33)29-17-28(37-23-38-29)34-18-26-5-3-6-27-30(26)39-22-36-27/h3,5-10,17,22-23,43H,4,11-16,18-21H2,1-2H3,(H,35,42)(H,36,39)(H,34,37,38)/t33-/m1/s1 |
InChIKey | IASLOXMPEUOUSU-MGBGTMOVSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 85 |
Chiral Atom Count | 1 |
Bond Count | 90 |
Aromatic Bond Count | 22 |
Related Resource References
Resource Name | Reference |
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PubChem | 156619958 |