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Summary Geometry Related PDB entries

2AZ

Summary

Name:	N-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-4-METHYLBENZAMIDE
Formula:	C28 H30 Cl N5 O2
Formal charge:	0
Formula weight:	504.023 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N-(3-aminopropyl)-N-[(R)-(3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl]-4-methylbenzamide
OpenEye OEToolkits	1.5.0	N-(3-aminopropyl)-N-[(R)-[5-chloro-4-oxo-3-(phenylmethyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-cyclopropyl-methyl]-4-methyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1ccc(cc1)C)N(CCCN)C(C2=Nn4c(C(=O)N2Cc3ccccc3)c(Cl)cc4)C5CC5
SMILES_CANONICAL	CACTVS	3.341	Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(Cl)c4C(=O)N3Cc5ccccc5
SMILES	CACTVS	3.341	Cc1ccc(cc1)C(=O)N(CCCN)[CH](C2CC2)C3=Nn4ccc(Cl)c4C(=O)N3Cc5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)C(=O)N(CCCN)[C@H](C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl
SMILES	OpenEye OEToolkits	1.5.0	Cc1ccc(cc1)C(=O)N(CCCN)C(C2CC2)C3=Nn4ccc(c4C(=O)N3Cc5ccccc5)Cl
InChI	InChI	1.03	InChI=1S/C28H30ClN5O2/c1-19-8-10-22(11-9-19)27(35)32(16-5-15-30)24(21-12-13-21)26-31-34-17-14-23(29)25(34)28(36)33(26)18-20-6-3-2-4-7-20/h2-4,6-11,14,17,21,24H,5,12-13,15-16,18,30H2,1H3/t24-/m1/s1
InChIKey	InChI	1.03	IKORZPHBTIOSSU-XMMPIXPASA-N

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PDB entries from 2026-02-04

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