RHP

(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL

Created:	2004-01-15
Last modified:	2021-03-01

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1 entries where RHP is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	6

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Chemical Component Summary
Name	(3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL
Synonyms	5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN
Systematic Name (OpenEye OEToolkits)	(3R)-3-(prop-2-ynylamino)-2,3-dihydro-1H-inden-5-ol
Formula	C₁₂ H₁₃ N O
Molecular Weight	187.238
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Oc1ccc2c(c1)C(NCC#C)CC2
SMILES	CACTVS	3.341	Oc1ccc2CC[CH](NCC#C)c2c1
SMILES	OpenEye OEToolkits	1.5.0	C#CCNC1CCc2c1cc(cc2)O
Canonical SMILES	CACTVS	3.341	Oc1ccc2CC[C@@H](NCC#C)c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C#CCN[C@@H]1CCc2c1cc(cc2)O
InChI	InChI	1.03	InChI=1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
InChIKey	InChI	1.03	NRSDGDXUWMMUEV-GFCCVEGCSA-N

Drug Info: DrugBank

DrugBank ID	DB04307
Name	5-Hydroxy-N-Propargyl-1(R)-Aminoindan
Groups	experimental
Synonyms	5-Hydroxy-N-Propargyl-1(R)-Aminoindan

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Amine oxidase [flavin-containing] B	MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...	unknown	ligand
Amine oxidase [flavin-containing] B	MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQK...	unknown	ligand

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682