82F

N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide

Created:2017-03-24
Last modified:  2018-11-21

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count1
Bond Count76
Aromatic Bond Count12
2D diagram of 82F

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

NameN-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[2-[(2~{S})-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5~{H}-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide
FormulaC27 H38 N6 O2
Molecular Weight478.63
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCN(CCC)C[CH]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4cccnc24
SMILESOpenEye OEToolkits2.0.6CCCN(CCC)CC1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4
Canonical SMILESCACTVS3.385 CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4cccnc24
Canonical SMILESOpenEye OEToolkits2.0.6 CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4
InChIInChI1.03 InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)/t21-/m0/s1
InChIKeyInChI1.03 MZDYABXXPZNUCT-NRFANRHFSA-N

Related Resource References

Resource NameReference
PubChem 6604853
ChEMBL CHEMBL1318307