67V

methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate

Created:	2021-09-10
Last modified:	2022-02-16

Find Related PDB Entry
1 entries where 67V is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	15

2D diagram of 67V

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	methyl 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole-3-carboxylate
Systematic Name (OpenEye OEToolkits)	methyl 8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indole-3-carboxylate
Formula	C₁₇ H₁₆ N₂ O₂
Molecular Weight	280.321
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)c1cc2c([nH]c3c(cccc23)C4CC4)nc1C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC
Canonical SMILES	CACTVS	3.385	COC(=O)c1cc2c([nH]c3c(cccc23)C4CC4)nc1C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(cc2c3cccc(c3[nH]c2n1)C4CC4)C(=O)OC
InChI	InChI	1.03	InChI=1S/C17H16N2O2/c1-9-13(17(20)21-2)8-14-12-5-3-4-11(10-6-7-10)15(12)19-16(14)18-9/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKey	InChI	1.03	PMYXVYACIJANSL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	162624762

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.