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Summary Geometry Related PDB entries

CP4

Summary

Name:	BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL
Synonyms:	CP-526423 1,2-BIS(2-(5-CHLOROINDOLE-2-CARBONYLAMINO)ETHOXY)ETHANE
Formula:	C24 H24 Cl2 N4 O4
Formal charge:	0
Formula weight:	503.378 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis(5-chloro-1H-indole-2-carboxamide)
OpenEye OEToolkits	1.5.0	5-chloro-N-[2-[2-[2-[(5-chloro-1H-indol-2-yl)carbonylamino]ethoxy]ethoxy]ethyl]-1H-indole-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1cc2cc(nc2cc1)C(=O)NCCOCCOCCNC(=O)c4cc3cc(Cl)ccc3n4
SMILES_CANONICAL	CACTVS	3.341	Clc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)c3[nH]c4ccc(Cl)cc4c3
SMILES	CACTVS	3.341	Clc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)c3[nH]c4ccc(Cl)cc4c3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1Cl)cc([nH]2)C(=O)NCCOCCOCCNC(=O)c3cc4cc(ccc4[nH]3)Cl
InChI	InChI	1.03	InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32)
InChIKey	InChI	1.03	MWWXABBBAPKJDX-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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