N7K
~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
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as a non-polymer is covalently linked to polymer or other heterogen groups 1 entries
Chemical Component Summary | |
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Name | ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
Identifiers | ~{N}-[3-[4-[[1-(phenylmethyl)indazol-5-yl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide |
Formula | C29 H25 N7 O |
Molecular Weight | 487.555 |
Type | NON-POLYMER |
Isomeric SMILES | CCC(=O)Nc1cccc(c1)c2c[nH]c3c2c(ncn3)Nc4ccc5c(c4)cnn5Cc6ccccc6 |
InChI | InChI=1S/C29H25N7O/c1-2-26(37)34-22-10-6-9-20(13-22)24-16-30-28-27(24)29(32-18-31-28)35-23-11-12-25-21(14-23)15-33-36(25)17-19-7-4-3-5-8-19/h3-16,18H,2,17H2,1H3,(H,34,37)(H2,30,31,32,35) |
InChIKey | OAEKXBTZBOTUIT-UHFFFAOYSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 62 |
Chiral Atom Count | 0 |
Bond Count | 67 |
Aromatic Bond Count | 32 |
Related Resource References
Resource Name | Reference |
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PubChem | 154700555 |