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Summary Geometry Related PDB entries

73J

Summary

Name:	~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide
Formula:	C28 H18 F N5 O
Formal charge:	0
Formula weight:	459.474 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.5	~{N}-[(9~{R})-4-(5-fluoranyl-1~{H}-benzimidazol-2-yl)-9~{H}-fluoren-9-yl]-1~{H}-pyrrolo[2,3-b]pyridine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C28H18FN5O/c29-15-8-9-22-23(14-15)33-27(32-22)21-7-3-6-20-24(21)16-4-1-2-5-17(16)25(20)34-28(35)19-11-13-31-26-18(19)10-12-30-26/h1-14,25H,(H,30,31)(H,32,33)(H,34,35)/t25-/m1/s1
InChIKey	InChI	1.03	JWSGPVAHPYSLBX-RUZDIDTESA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1ccc2[nH]c(nc2c1)c3cccc4[C@H](NC(=O)c5ccnc6[nH]ccc56)c7ccccc7c34
SMILES	CACTVS	3.385	Fc1ccc2[nH]c(nc2c1)c3cccc4[CH](NC(=O)c5ccnc6[nH]ccc56)c7ccccc7c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)-c3c(cccc3[C@@H]2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F
SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)-c3c(cccc3C2NC(=O)c4ccnc5c4cc[nH]5)c6[nH]c7ccc(cc7n6)F

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