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IL7 : Summary
Code
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IL7
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One-letter code
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X
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Molecule name
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4-(7-azanyl-5,5-dimethyl-3-methylimino-benzo[b][1]benzosilin-10-yl)-N-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-3-methyl-benzamide
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Systematic names
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Formula
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C34 H44 Cl N3 O3 Si
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Formal charge
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0
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Molecular weight
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606.27 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(ccc1C2=C3C=CC(=NC)C=C3[Si](c4c2ccc(c4)N)(C)C)C(=O)NCCOCCOCCCCCCCl |
Canonical SMILES
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CACTVS |
3.385 |
CN=C1C=CC2=C(c3ccc(cc3C)C(=O)NCCOCCOCCCCCCCl)c4ccc(N)cc4[Si](C)(C)C2=C1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(ccc1C2=C3C=CC(=NC)C=C3[Si](c4c2ccc(c4)N)(C)C)C(=O)NCCOCCOCCCCCCCl |
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IUPAC InChI | InChI=1S/C34H44ClN3O3Si/c1-24-21-25(34(39)38-16-18-41-20-19-40-17-8-6-5-7-15-35)9-12-28(24)33-29-13-10-26(36)22-31(29)42(3,4)32-23-27(37-2)11-14-30(32)33/h9-14,21-23H,5-8,15-20,36H2,1-4H3,(H,38,39)/b37-27+ |
IUPAC InChI key | JCDPTWLYDNGHLA-NXEFEZKASA-N |
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wwPDB Information |
Atom count
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86 (42 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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non-polymer
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2022-03-31
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Last modified at
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2023-01-27
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Status
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Released
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Obsoleted
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Not Assigned
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