2F5
1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone
Created: | 2013-10-07 |
Last modified: | 2013-10-23 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 49 |
Chiral Atom Count | 0 |
Bond Count | 53 |
Aromatic Bond Count | 22 |
Chemical Component Summary | |
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Name | 1H-benzimidazol-2-yl(4-{[3-(morpholin-4-yl)pyrazin-2-yl]oxy}phenyl)methanone |
Systematic Name (OpenEye OEToolkits) | 1H-benzimidazol-2-yl-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]methanone |
Formula | C22 H19 N5 O3 |
Molecular Weight | 401.418 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c2nc1ccccc1n2)c5ccc(Oc4nccnc4N3CCOCC3)cc5 |
SMILES | CACTVS | 3.385 | O=C(c1[nH]c2ccccc2n1)c3ccc(Oc4nccnc4N5CCOCC5)cc3 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5 |
Canonical SMILES | CACTVS | 3.385 | O=C(c1[nH]c2ccccc2n1)c3ccc(Oc4nccnc4N5CCOCC5)cc3 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)[nH]c(n2)C(=O)c3ccc(cc3)Oc4c(nccn4)N5CCOCC5 |
InChI | InChI | 1.03 | InChI=1S/C22H19N5O3/c28-19(20-25-17-3-1-2-4-18(17)26-20)15-5-7-16(8-6-15)30-22-21(23-9-10-24-22)27-11-13-29-14-12-27/h1-10H,11-14H2,(H,25,26) |
InChIKey | InChI | 1.03 | YWFDAAMTUBHJGI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3086091 |
PubChem | 46207938 |
ChEMBL | CHEMBL3086091 |