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Summary Geometry Related PDB entries

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Summary

Name:	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
Synonyms:	Dorsomorphin
Formula:	C24 H25 N5 O
Formal charge:	0
Formula weight:	399.488 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
OpenEye OEToolkits	1.5.0	6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-yl-pyrazolo[1,5-a]pyrimidine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c4ccc(c2cn3ncc(c1ccncc1)c3nc2)cc4)CCN5CCCCC5
SMILES_CANONICAL	CACTVS	3.341	C1CCN(CC1)CCOc2ccc(cc2)c3cnc4n(c3)ncc4c5ccncc5
SMILES	CACTVS	3.341	C1CCN(CC1)CCOc2ccc(cc2)c3cnc4n(c3)ncc4c5ccncc5
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1c2cnc3c(cnn3c2)c4ccncc4)OCCN5CCCCC5
InChI	InChI	1.03	InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
InChIKey	InChI	1.03	XHBVYDAKJHETMP-UHFFFAOYSA-N

222624

数据于2024-07-17公开中

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