tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate

C166H206B2F2K4N46O45 — CID 160639228

IUPACtetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate
SMILESC.C.C.CB(O)CCCCCN.CB(O)NCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-].CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)OC)ccc21.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)OC)ccc21.CCn1nc(C)cc1C(=O)O.COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc(NCCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)nc(N)n2CCCCn1c(N)nc2cc(C(N)=O)ccc21.NCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-].O=C(O)c1ccc(F)c([N+](=O)[O-])c1.O=CO[O-].O=CO[O-].[H-].[H-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C35H39N11O5.C35H37N11O5.C21H23N7O3.C19H21N5O7.C12H18BN3O5.C11H16N4O3.C8H6FNO4.C7H4FNO4.C7H10N2O2.C6H16BNO.2CH2O3.3CH4.4K.2H/c2*1-6-45-28(16-20(3)41-45)31(48)39-34-37-24-18-22(30(36)47)10-12-26(24)43(34)14-8-9-15-44-27-13-11-23(33(50)51-5)19-25(27)38-35(44)40-32(49)29-17-21(4)42-46(29)7-2;1-31-19(30)13-5-7-17-15(11-13)26-21(24)28(17)9-3-2-8-27-16-6-4-12(18(22)29)10-14(16)25-20(27)23;1-31-19(26)13-5-7-15(17(11-13)24(29)30)22-9-3-2-8-21-14-6-4-12(18(20)25)10-16(14)23(27)28;1-13(19)15-7-3-2-6-14-10-5-4-9(12(17)18)8-11(10)16(20)21;12-5-1-2-6-14-9-4-3-8(11(13)16)7-10(9)15(17)18;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-3-9-6(7(10)11)4-5(2)8-9;1-7(9)5-3-2-4-6-8;2*2-1-4-3;;;;;;;;;/h10-13,16-19H,6-9,14-15H2,1-5H3,(H2,36,47)(H,37,39,48)(H,38,40,49);8-13,16-19H,6-7,14-15H2,1-5H3,(H2,36,47)(H,37,39,48)(H,38,40,49);4-7,10-11H,2-3,8-9H2,1H3,(H2,22,29)(H2,23,25)(H2,24,26);4-7,10-11,21-22H,2-3,8-9H2,1H3,(H2,20,25);4-5,8,14-15,19H,2-3,6-7H2,1H3,(H,17,18);3-4,7,14H,1-2,5-6,12H2,(H2,13,16);2-4H,1H3;1-3H,(H,10,11);4H,3H2,1-2H3,(H,10,11);9H,2-6,8H2,1H3;2*1,3H;3*1H4;;;;;;/q;;;;;;;;;;;;;;;4*+1;2*-1/p-2/b;9-8+;;;;;;;;;;;;;;;;;;;
InChIKeyGYQNVJGJNJTXQS-SKXNXTJPSA-L
MW3781.76 g/mol
LogP6.64
Rot. Bonds72

About tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate

tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate (PubChem CID 160639228) has the molecular formula C166H206B2F2K4N46O45 and a molecular weight of 3781.76 g/mol. Its IUPAC name is tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate.

Molecular Properties

Compound Nametetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate
PubChem CID160639228
Molecular FormulaC166H206B2F2K4N46O45
Molecular Weight3781.76 g/mol
Exact Mass3779.39
IUPAC Nametetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate
SMILESC.C.C.CB(O)CCCCCN.CB(O)NCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-].CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)OC)ccc21.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)OC)ccc21.CCn1nc(C)cc1C(=O)O.COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc(NCCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)nc(N)n2CCCCn1c(N)nc2cc(C(N)=O)ccc21.NCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-].O=C(O)c1ccc(F)c([N+](=O)[O-])c1.O=CO[O-].O=CO[O-].[H-].[H-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C35H39N11O5.C35H37N11O5.C21H23N7O3.C19H21N5O7.C12H18BN3O5.C11H16N4O3.C8H6FNO4.C7H4FNO4.C7H10N2O2.C6H16BNO.2CH2O3.3CH4.4K.2H/c2*1-6-45-28(16-20(3)41-45)31(48)39-34-37-24-18-22(30(36)47)10-12-26(24)43(34)14-8-9-15-44-27-13-11-23(33(50)51-5)19-25(27)38-35(44)40-32(49)29-17-21(4)42-46(29)7-2;1-31-19(30)13-5-7-17-15(11-13)26-21(24)28(17)9-3-2-8-27-16-6-4-12(18(22)29)10-14(16)25-20(27)23;1-31-19(26)13-5-7-15(17(11-13)24(29)30)22-9-3-2-8-21-14-6-4-12(18(20)25)10-16(14)23(27)28;1-13(19)15-7-3-2-6-14-10-5-4-9(12(17)18)8-11(10)16(20)21;12-5-1-2-6-14-9-4-3-8(11(13)16)7-10(9)15(17)18;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-3-9-6(7(10)11)4-5(2)8-9;1-7(9)5-3-2-4-6-8;2*2-1-4-3;;;;;;;;;/h10-13,16-19H,6-9,14-15H2,1-5H3,(H2,36,47)(H,37,39,48)(H,38,40,49);8-13,16-19H,6-7,14-15H2,1-5H3,(H2,36,47)(H,37,39,48)(H,38,40,49);4-7,10-11H,2-3,8-9H2,1H3,(H2,22,29)(H2,23,25)(H2,24,26);4-7,10-11,21-22H,2-3,8-9H2,1H3,(H2,20,25);4-5,8,14-15,19H,2-3,6-7H2,1H3,(H,17,18);3-4,7,14H,1-2,5-6,12H2,(H2,13,16);2-4H,1H3;1-3H,(H,10,11);4H,3H2,1-2H3,(H,10,11);9H,2-6,8H2,1H3;2*1,3H;3*1H4;;;;;;/q;;;;;;;;;;;;;;;4*+1;2*-1/p-2/b;9-8+;;;;;;;;;;;;;;;;;;;
InChIKeyGYQNVJGJNJTXQS-SKXNXTJPSA-L
XLogP6.64
TPSA1333.52 Ų
H-Bond Donors23
H-Bond Acceptors73
Rotatable Bonds72
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003781.76
LogP ≤ 56.64
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1073

Analyze tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate with MolForge

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Launch Full Analysis

Related Compounds

1-(4-aminobutyl)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;tert-butyl N-(4-aminobutyl)carbamate;tert-butyl N-[4-(2-amino-4-carbamoylanilino)butyl]carbamate;tert-butyl N-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]carbamate;tert-butyl N-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]carbamate;tert-butyl N-[4-(4-carbamoyl-2-nitroanilino)butyl]carbamate;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide
CID 165111463
azane;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methyl 2-amino-1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-7-methoxybenzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxylate;hydrate
CID 159060547
4-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butylamino]-3-methoxy-2-methyl-5-nitrobenzoic acid
CID 131986663
azane;1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxamide;carbononitridic bromide;2-ethyl-5-methylpyrazole-3-carboxylic acid;methane;methyl 3-amino-4-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butylamino]-5-methoxybenzoate;methyl 2-amino-1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-7-methoxybenzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxylate;hydrate
CID 158619579
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[(E)-4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methoxybenzimidazol-1-yl]but-2-enyl]benzimidazole-5-carboxamide;methane
CID 160680478
1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(2-methoxyethoxy)benzimidazole-5-carboxamide
CID 131999993
2-amino-1-[4-[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methoxybenzimidazol-1-yl]butyl]benzimidazole-5-carboxamide
CID 145380489
2-amino-1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-[(4-methoxyphenyl)methoxy]benzimidazole-5-carboxamide;dihydrobromide
CID 131986658
ethane;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazole-5-carboxylate
CID 145380508
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-1-[3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propyl]benzimidazole-5-carboxamide
CID 164903410
1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-(3-methoxypropoxy)benzimidazole-5-carboxamide;formaldehyde;methanol
CID 145380540
1-[4-[5-acetyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide
CID 164874675

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate?
The IUPAC name of tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate (CID 160639228) is tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate.
What is the SMILES notation for tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate?
The canonical SMILES for tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate is C.C.C.CB(O)CCCCCN.CB(O)NCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-].CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)OC)ccc21.CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(=O)OC)ccc21.CCn1nc(C)cc1C(=O)O.COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc(NCCCCNc2ccc(C(N)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)nc(N)n2CCCCn1c(N)nc2cc(C(N)=O)ccc21.NCCCCNc1ccc(C(N)=O)cc1[N+](=O)[O-].O=C(O)c1ccc(F)c([N+](=O)[O-])c1.O=CO[O-].O=CO[O-].[H-].[H-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate?
The InChIKey is GYQNVJGJNJTXQS-SKXNXTJPSA-L. The full InChI is InChI=1S/C35H39N11O5.C35H37N11O5.C21H23N7O3.C19H21N5O7.C12H18BN3O5.C11H16N4O3.C8H6FNO4.C7H4FNO4.C7H10N2O2.C6H16BNO.2CH2O3.3CH4.4K.2H/c2*1-6-45-28(16-20(3)41-45)31(48)39-34-37-24-18-22(30(36)47)10-12-26(24)43(34)14-8-9-15-44-27-13-11-23(33(50)51-5)19-25(27)38-35(44)40-32(49)29-17-21(4)42-46(29)7-2;1-31-19(30)13-5-7-17-15(11-13)26-21(24)28(17)9-3-2-8-27-16-6-4-12(18(22)29)10-14(16)25-20(27)23;1-31-19(26)13-5-7-15(17(11-13)24(29)30)22-9-3-2-8-21-14-6-4-12(18(20)25)10-16(14)23(27)28;1-13(19)15-7-3-2-6-14-10-5-4-9(12(17)18)8-11(10)16(20)21;12-5-1-2-6-14-9-4-3-8(11(13)16)7-10(9)15(17)18;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;8-5-2-1-4(7(10)11)3-6(5)9(12)13;1-3-9-6(7(10)11)4-5(2)8-9;1-7(9)5-3-2-4-6-8;2*2-1-4-3;;;;;;;;;/h10-13,16-19H,6-9,14-15H2,1-5H3,(H2,36,47)(H,37,39,48)(H,38,40,49);8-13,16-19H,6-7,14-15H2,1-5H3,(H2,36,47)(H,37,39,48)(H,38,40,49);4-7,10-11H,2-3,8-9H2,1H3,(H2,22,29)(H2,23,25)(H2,24,26);4-7,10-11,21-22H,2-3,8-9H2,1H3,(H2,20,25);4-5,8,14-15,19H,2-3,6-7H2,1H3,(H,17,18);3-4,7,14H,1-2,5-6,12H2,(H2,13,16);2-4H,1H3;1-3H,(H,10,11);4H,3H2,1-2H3,(H,10,11);9H,2-6,8H2,1H3;2*1,3H;3*1H4;;;;;;/q;;;;;;;;;;;;;;;4*+1;2*-1/p-2/b;9-8+;;;;;;;;;;;;;;;;;;;.
What are the key properties of tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate?
tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate has a molecular weight of 3781.76 g/mol, XLogP of 6.64, 72 rotatable bonds, 23 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate is sourced from PubChem (CID 160639228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).