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Summary Geometry Related PDB entries

FP4

Summary

Name:	3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol
Formula:	C21 H18 N6 O2
Formal charge:	0
Formula weight:	386.407 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(4-{[2-(pyrimidin-2-yl)furo[2,3-c]pyridin-3-yl]amino}-1H-indazol-3-yl)propan-1-ol
OpenEye OEToolkits	1.7.0	3-[4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-1H-indazol-3-yl]propan-1-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n5ccc1c(oc(c1Nc3cccc2nnc(c23)CCCO)c4ncccn4)c5
SMILES_CANONICAL	CACTVS	3.370	OCCCc1n[nH]c2cccc(Nc3c(oc4cnccc34)c5ncccn5)c12
SMILES	CACTVS	3.370	OCCCc1n[nH]c2cccc(Nc3c(oc4cnccc34)c5ncccn5)c12
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO
SMILES	OpenEye OEToolkits	1.7.0	c1cc2c(c(c1)Nc3c4ccncc4oc3c5ncccn5)c(n[nH]2)CCCO
InChI	InChI	1.03	InChI=1S/C21H18N6O2/c28-11-2-6-16-18-14(4-1-5-15(18)26-27-16)25-19-13-7-10-22-12-17(13)29-20(19)21-23-8-3-9-24-21/h1,3-5,7-10,12,25,28H,2,6,11H2,(H,26,27)
InChIKey	InChI	1.03	SYIQWALXOCKNEW-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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