G2J
N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide
Created: | 2018-05-02 |
Last modified: | 2018-09-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 57 |
Chiral Atom Count | 0 |
Bond Count | 61 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide |
Systematic Name (OpenEye OEToolkits) | ~{N}-(cyclopropylmethyl)-~{N}-[[3-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxy-benzamide |
Formula | C25 H27 N3 O2 |
Molecular Weight | 401.501 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(CC1CC1)Cc4cccc(c3cn2CCCc2n3)c4)c5cccc(c5)OC |
SMILES | CACTVS | 3.385 | COc1cccc(c1)C(=O)N(CC2CC2)Cc3cccc(c3)c4cn5CCCc5n4 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5 |
Canonical SMILES | CACTVS | 3.385 | COc1cccc(c1)C(=O)N(CC2CC2)Cc3cccc(c3)c4cn5CCCc5n4 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)C(=O)N(Cc2cccc(c2)c3cn4c(n3)CCC4)CC5CC5 |
InChI | InChI | 1.03 | InChI=1S/C25H27N3O2/c1-30-22-8-3-7-21(14-22)25(29)28(15-18-10-11-18)16-19-5-2-6-20(13-19)23-17-27-12-4-9-24(27)26-23/h2-3,5-8,13-14,17-18H,4,9-12,15-16H2,1H3 |
InChIKey | InChI | 1.03 | UVWAIBUOXKRXQY-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4294825 |
PubChem | 134369559 |
ChEMBL | CHEMBL4294825 |