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Summary Geometry Related PDB entries

SS3

Summary

Name:	(2S)-1-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-PHENYLPROPAN-2-AMINE
Formula:	C22 H22 N4 O
Formal charge:	0
Formula weight:	358.436 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(2S)-1-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}-3-phenylpropan-2-amine
OpenEye OEToolkits	1.5.0	(2S)-1-[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy-3-phenyl-propan-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c(c1cc(ccc1n2)c4cc(OCC(N)Cc3ccccc3)cnc4)C
SMILES_CANONICAL	CACTVS	3.341	Cc1n[nH]c2ccc(cc12)c3cncc(OC[C@@H](N)Cc4ccccc4)c3
SMILES	CACTVS	3.341	Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4ccccc4)c3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OC[C@H](Cc4ccccc4)N
SMILES	OpenEye OEToolkits	1.5.0	Cc1c2cc(ccc2[nH]n1)c3cc(cnc3)OCC(Cc4ccccc4)N
InChI	InChI	1.03	InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
InChIKey	InChI	1.03	BPNUQXPIQBZCMR-IBGZPJMESA-N

248636

PDB entries from 2026-02-04

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