2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride

C98H141Cl6N35O10 — CID 158427648

IUPAC2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.C[N+](C)(C)CC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.C[N+](C)(C)CCNC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.N/C(=N\CC1(CCc2ccccc2)CCN(CC(=O)O)CC1)NC(=O)c1nc(Cl)c(N)nc1N.[Cl-].[Cl-]
InChIInChI=1S/C26H39ClN10O2.C25H36ClN9O2.C25H35ClN8O3.C22H29ClN8O3.2ClH/c1-37(2,3)16-13-31-25(39)36-14-11-26(12-15-36,10-9-18-7-5-4-6-8-18)17-32-24(30)35-23(38)19-21(28)34-22(29)20(27)33-19;1-35(2,3)15-18(36)34-13-11-25(12-14-34,10-9-17-7-5-4-6-8-17)16-30-24(29)33-23(37)19-21(27)32-22(28)20(26)31-19;1-24(2,3)37-23(36)34-13-11-25(12-14-34,10-9-16-7-5-4-6-8-16)15-30-22(29)33-21(35)17-19(27)32-20(28)18(26)31-17;23-17-19(25)29-18(24)16(28-17)20(34)30-21(26)27-13-22(7-6-14-4-2-1-3-5-14)8-10-31(11-9-22)12-15(32)33;;/h4-8H,9-17H2,1-3H3,(H7-,28,29,30,31,32,34,35,38,39);4-8H,9-16H2,1-3H3,(H6-,27,28,29,30,32,33,37);4-8H,9-15H2,1-3H3,(H4,27,28,32)(H3,29,30,33,35);1-5H,6-13H2,(H,32,33)(H4,24,25,29)(H3,26,27,30,34);2*1H
InChIKeyKRCXBILNLCYZCH-UHFFFAOYSA-N
MW2182.16 g/mol
LogP0.89
Rot. Bonds31

About 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride

2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride (PubChem CID 158427648) has the molecular formula C98H141Cl6N35O10 and a molecular weight of 2182.16 g/mol. Its IUPAC name is 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride.

Molecular Properties

Compound Name2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride
PubChem CID158427648
Molecular FormulaC98H141Cl6N35O10
Molecular Weight2182.16 g/mol
Exact Mass2177.97
IUPAC Name2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride
SMILESCC(C)(C)OC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.C[N+](C)(C)CC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.C[N+](C)(C)CCNC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.N/C(=N\CC1(CCc2ccccc2)CCN(CC(=O)O)CC1)NC(=O)c1nc(Cl)c(N)nc1N.[Cl-].[Cl-]
InChIInChI=1S/C26H39ClN10O2.C25H36ClN9O2.C25H35ClN8O3.C22H29ClN8O3.2ClH/c1-37(2,3)16-13-31-25(39)36-14-11-26(12-15-36,10-9-18-7-5-4-6-8-18)17-32-24(30)35-23(38)19-21(28)34-22(29)20(27)33-19;1-35(2,3)15-18(36)34-13-11-25(12-14-34,10-9-17-7-5-4-6-8-17)16-30-24(29)33-23(37)19-21(27)32-22(28)20(26)31-19;1-24(2,3)37-23(36)34-13-11-25(12-14-34,10-9-16-7-5-4-6-8-16)15-30-22(29)33-21(35)17-19(27)32-20(28)18(26)31-17;23-17-19(25)29-18(24)16(28-17)20(34)30-21(26)27-13-22(7-6-14-4-2-1-3-5-14)8-10-31(11-9-22)12-15(32)33;;/h4-8H,9-17H2,1-3H3,(H7-,28,29,30,31,32,34,35,38,39);4-8H,9-16H2,1-3H3,(H6-,27,28,29,30,32,33,37);4-8H,9-15H2,1-3H3,(H4,27,28,32)(H3,29,30,33,35);1-5H,6-13H2,(H,32,33)(H4,24,25,29)(H3,26,27,30,34);2*1H
InChIKeyKRCXBILNLCYZCH-UHFFFAOYSA-N
XLogP0.89
TPSA703.93 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002182.16
LogP ≤ 50.89
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride with MolForge

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Related Compounds

3,5-diamino-N-[N'-[1-[4-[4-[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]piperidin-1-yl]-6-(2,2-diphenylethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 25116747
3,5-diamino-N-[N'-[[1-[4-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]butylcarbamoyl]-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 71555795
tert-butyl N-[N-(3,5-diamino-6-chloropyrazine-2-carbonyl)-N'-[[1-[2-(dimethylamino)ethylcarbamoyl]-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]carbamate
CID 89531782
3,5-diamino-N-[N'-[[1-[6-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]hexylcarbamoyl]-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 89534624
[3-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-3-(2-phenylethyl)hexyl] N-[4-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]butyl]carbamate
CID 90338422
3,5-diamino-N-[N'-[[1-[4-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]butylcarbamoyl]-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-methylpyrazine-2-carboxamide
CID 118535287
3-amino-N-[N'-[[1-[4-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]butylcarbamoyl]-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloro-5-methylpyrazine-2-carboxamide
CID 118535288
Tert-butyl 4-[[[amino-[[5-amino-6-chloro-3-(methylamino)pyrazine-2-carbonyl]amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate
CID 130284015
2-[4-[[[N-[5-amino-6-chloro-3-(methylamino)pyrazine-2-carbonyl]-N'-methylcarbamimidoyl]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid
CID 130284046
3,5-diamino-N-[N'-[[1-[[4-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]butylamino]-hydroxymethyl]-4-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide
CID 130284720
2-[[4-[[[Amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]acetic acid
CID 135209783
3,5-diamino-N-[3-[1-[8-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]octanoyl]-4-(2-phenylethyl)piperidin-4-yl]propanimidoyl]-6-chloropyrazine-2-carboxamide
CID 149287225

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride?
The IUPAC name of 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride (CID 158427648) is 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride.
What is the SMILES notation for 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride?
The canonical SMILES for 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride is CC(C)(C)OC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.C[N+](C)(C)CC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.C[N+](C)(C)CCNC(=O)N1CCC(CCc2ccccc2)(C/N=C(\N)NC(=O)c2nc(Cl)c(N)nc2N)CC1.N/C(=N\CC1(CCc2ccccc2)CCN(CC(=O)O)CC1)NC(=O)c1nc(Cl)c(N)nc1N.[Cl-].[Cl-].
What is the InChIKey of 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride?
The InChIKey is KRCXBILNLCYZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39ClN10O2.C25H36ClN9O2.C25H35ClN8O3.C22H29ClN8O3.2ClH/c1-37(2,3)16-13-31-25(39)36-14-11-26(12-15-36,10-9-18-7-5-4-6-8-18)17-32-24(30)35-23(38)19-21(28)34-22(29)20(27)33-19;1-35(2,3)15-18(36)34-13-11-25(12-14-34,10-9-17-7-5-4-6-8-17)16-30-24(29)33-23(37)19-21(27)32-22(28)20(26)31-19;1-24(2,3)37-23(36)34-13-11-25(12-14-34,10-9-16-7-5-4-6-8-16)15-30-22(29)33-21(35)17-19(27)32-20(28)18(26)31-17;23-17-19(25)29-18(24)16(28-17)20(34)30-21(26)27-13-22(7-6-14-4-2-1-3-5-14)8-10-31(11-9-22)12-15(32)33;;/h4-8H,9-17H2,1-3H3,(H7-,28,29,30,31,32,34,35,38,39);4-8H,9-16H2,1-3H3,(H6-,27,28,29,30,32,33,37);4-8H,9-15H2,1-3H3,(H4,27,28,32)(H3,29,30,33,35);1-5H,6-13H2,(H,32,33)(H4,24,25,29)(H3,26,27,30,34);2*1H.
What are the key properties of 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride?
2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride has a molecular weight of 2182.16 g/mol, XLogP of 0.89, 31 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carbonyl]amino]ethyl-trimethylazanium;2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]acetic acid;[2-[4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-trimethylazanium;tert-butyl 4-[[[amino-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]methylidene]amino]methyl]-4-(2-phenylethyl)piperidine-1-carboxylate;dichloride is sourced from PubChem (CID 158427648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).