4RN
(2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine
Created: | 2015-05-15 |
Last modified: | 2016-05-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 43 |
Chiral Atom Count | 1 |
Bond Count | 45 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | (2S)-N-(3,5-dichlorobenzyl)-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropane-1,3-diamine |
Systematic Name (OpenEye OEToolkits) | (2S)-N-[[3,5-bis(chloranyl)phenyl]methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methyl-propane-1,3-diamine |
Formula | C17 H19 Cl2 N5 |
Molecular Weight | 364.272 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(CNc2nc1c(nccc1)n2)(CNCc3cc(cc(c3)Cl)Cl)C |
SMILES | CACTVS | 3.385 | C[CH](CNCc1cc(Cl)cc(Cl)c1)CNc2[nH]c3cccnc3n2 |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2 |
Canonical SMILES | CACTVS | 3.385 | C[C@@H](CNCc1cc(Cl)cc(Cl)c1)CNc2[nH]c3cccnc3n2 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | C[C@@H](CNCc1cc(cc(c1)Cl)Cl)CNc2[nH]c3cccnc3n2 |
InChI | InChI | 1.03 | InChI=1S/C17H19Cl2N5/c1-11(8-20-10-12-5-13(18)7-14(19)6-12)9-22-17-23-15-3-2-4-21-16(15)24-17/h2-7,11,20H,8-10H2,1H3,(H2,21,22,23,24)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | WHJDPLYTLYNDOF-NSHDSACASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 118988354 |