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Summary Geometry Related PDB entries

EZV

Summary

Name:	4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
Formula:	C25 H25 N7
Formal charge:	0
Formula weight:	423.513 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline
OpenEye OEToolkits	1.5.0	4-[3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n3nc2cc(c1ccc(N)cc1)ccc2c3c6nc5c(c(N4CCN(C)CC4)ccc5)n6
SMILES_CANONICAL	CACTVS	3.341	CN1CCN(CC1)c2cccc3nc([nH]c23)c4n[nH]c5cc(ccc45)c6ccc(N)cc6
SMILES	CACTVS	3.341	CN1CCN(CC1)c2cccc3nc([nH]c23)c4n[nH]c5cc(ccc45)c6ccc(N)cc6
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N
SMILES	OpenEye OEToolkits	1.5.0	CN1CCN(CC1)c2cccc3c2[nH]c(n3)c4c5ccc(cc5[nH]n4)c6ccc(cc6)N
InChI	InChI	1.03	InChI=1S/C25H25N7/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-7-17(15-21(19)29-30-23)16-5-8-18(26)9-6-16/h2-10,15H,11-14,26H2,1H3,(H,27,28)(H,29,30)
InChIKey	InChI	1.03	LPSCCOBGZSKECZ-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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