N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide

C157H223N61O6 — CID 159614927

IUPACN'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide
SMILESCCc1nc(N)nc(CCCCCNC(N)c2ccc(/C(N)=N/CCCCNc3nc(N)nc(NC(CN)N(CC)CCN)n3)cc2)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3c(C(=O)NCCN(CCN)CCN)cccc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3c(C(=O)NCCN(CCN)CCNC(=O)Cc4cnc[nH]4)cccc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3ccc(C(=O)NCCN(CCN)CCN)cc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3ccc(C(=O)NCCN(CCN)CCNC(=O)Cc4cnc[nH]4)cc23)n1
InChIInChI=1S/2C34H44N12O2.C31H55N17.2C29H40N10O/c1-23-42-29(45-34(36)43-23)12-3-2-6-14-39-31-25-8-4-5-11-28(25)44-32-26(31)9-7-10-27(32)33(48)40-16-19-46(17-13-35)18-15-38-30(47)20-24-21-37-22-41-24;1-23-42-30(45-34(36)43-23)9-3-2-6-13-39-32-26-7-4-5-8-28(26)44-29-11-10-24(19-27(29)32)33(48)40-15-18-46(16-12-35)17-14-38-31(47)20-25-21-37-22-41-25;1-3-23-41-24(43-28(36)42-23)10-6-5-7-16-38-26(34)21-11-13-22(14-12-21)27(35)39-17-8-9-18-40-30-45-29(37)46-31(47-30)44-25(20-33)48(4-2)19-15-32;1-20-35-25(38-29(32)36-20)12-3-2-6-15-33-26-21-8-4-5-11-24(21)37-27-22(26)9-7-10-23(27)28(40)34-16-19-39(17-13-30)18-14-31;1-20-35-26(38-29(32)36-20)9-3-2-6-14-33-27-22-7-4-5-8-24(22)37-25-11-10-21(19-23(25)27)28(40)34-15-18-39(16-12-30)17-13-31/h4-5,7-11,21-22H,2-3,6,12-20,35H2,1H3,(H,37,41)(H,38,47)(H,39,44)(H,40,48)(H2,36,42,43,45);4-5,7-8,10-11,19,21-22H,2-3,6,9,12-18,20,35H2,1H3,(H,37,41)(H,38,47)(H,39,44)(H,40,48)(H2,36,42,43,45);11-14,25-26,38H,3-10,15-20,32-34H2,1-2H3,(H2,35,39)(H2,36,41,42,43)(H4,37,40,44,45,46,47);4-5,7-11H,2-3,6,12-19,30-31H2,1H3,(H,33,37)(H,34,40)(H2,32,35,36,38);4-5,7-8,10-11,19H,2-3,6,9,12-18,30-31H2,1H3,(H,33,37)(H,34,40)(H2,32,35,36,38)
InChIKeyMNDZGFGYNOIWLJ-UHFFFAOYSA-N
MW3060.93 g/mol
LogP9.52
Rot. Bonds89

About N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide

N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide (PubChem CID 159614927) has the molecular formula C157H223N61O6 and a molecular weight of 3060.93 g/mol. Its IUPAC name is N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide.

Molecular Properties

Compound NameN'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide
PubChem CID159614927
Molecular FormulaC157H223N61O6
Molecular Weight3060.93 g/mol
Exact Mass3058.90
IUPAC NameN'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide
SMILESCCc1nc(N)nc(CCCCCNC(N)c2ccc(/C(N)=N/CCCCNc3nc(N)nc(NC(CN)N(CC)CCN)n3)cc2)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3c(C(=O)NCCN(CCN)CCN)cccc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3c(C(=O)NCCN(CCN)CCNC(=O)Cc4cnc[nH]4)cccc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3ccc(C(=O)NCCN(CCN)CCN)cc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3ccc(C(=O)NCCN(CCN)CCNC(=O)Cc4cnc[nH]4)cc23)n1
InChIInChI=1S/2C34H44N12O2.C31H55N17.2C29H40N10O/c1-23-42-29(45-34(36)43-23)12-3-2-6-14-39-31-25-8-4-5-11-28(25)44-32-26(31)9-7-10-27(32)33(48)40-16-19-46(17-13-35)18-15-38-30(47)20-24-21-37-22-41-24;1-23-42-30(45-34(36)43-23)9-3-2-6-13-39-32-26-7-4-5-8-28(26)44-29-11-10-24(19-27(29)32)33(48)40-15-18-46(16-12-35)17-14-38-31(47)20-25-21-37-22-41-25;1-3-23-41-24(43-28(36)42-23)10-6-5-7-16-38-26(34)21-11-13-22(14-12-21)27(35)39-17-8-9-18-40-30-45-29(37)46-31(47-30)44-25(20-33)48(4-2)19-15-32;1-20-35-25(38-29(32)36-20)12-3-2-6-15-33-26-21-8-4-5-11-24(21)37-27-22(26)9-7-10-23(27)28(40)34-16-19-39(17-13-30)18-14-31;1-20-35-26(38-29(32)36-20)9-3-2-6-14-33-27-22-7-4-5-8-24(22)37-25-11-10-21(19-23(25)27)28(40)34-15-18-39(16-12-30)17-13-31/h4-5,7-11,21-22H,2-3,6,12-20,35H2,1H3,(H,37,41)(H,38,47)(H,39,44)(H,40,48)(H2,36,42,43,45);4-5,7-8,10-11,19,21-22H,2-3,6,9,12-18,20,35H2,1H3,(H,37,41)(H,38,47)(H,39,44)(H,40,48)(H2,36,42,43,45);11-14,25-26,38H,3-10,15-20,32-34H2,1-2H3,(H2,35,39)(H2,36,41,42,43)(H4,37,40,44,45,46,47);4-5,7-11H,2-3,6,12-19,30-31H2,1H3,(H,33,37)(H,34,40)(H2,32,35,36,38);4-5,7-8,10-11,19H,2-3,6,9,12-18,30-31H2,1H3,(H,33,37)(H,34,40)(H2,32,35,36,38)
InChIKeyMNDZGFGYNOIWLJ-UHFFFAOYSA-N
XLogP9.52
TPSA1044.63 Ų
H-Bond Donors31
H-Bond Acceptors58
Rotatable Bonds89
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003060.93
LogP ≤ 59.52
H-Bond Donors ≤ 531
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

{4-[9-Phenyl-2-(quinolin-3-ylamino)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762176
4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
CID 53326216
3-((4-(6-methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-imidazol-2-yl)methyl)benzamide
CID 46871765
2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
CID 54580537
2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54587802
4-(2-Dimethylamino-1-{3-[(2-pyrrolidin-1-yl-pyridine-4-carbonyl)-amino]-phenyl}-ethylamino)-quinazoline-8-carboxylic acid amide
CID 46869451
4-[[2-(Dimethylamino)-1-[3-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869517
4-[[2-(Dimethylamino)-1-[3-[(5-pyrrolidin-1-ylpyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869580
4-[[3-[[4-(1H-imidazol-2-yl)benzoyl]amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763542
2-(2-(ethyl(pyridin-3-yl)amino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783772
2-(2-(pyrimidin-5-ylamino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89784123
(2S)-N-[(2S)-1-[2-[1-[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]pentanediamide
CID 10819989

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide?
The IUPAC name of N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide (CID 159614927) is N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide.
What is the SMILES notation for N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide?
The canonical SMILES for N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide is CCc1nc(N)nc(CCCCCNC(N)c2ccc(/C(N)=N/CCCCNc3nc(N)nc(NC(CN)N(CC)CCN)n3)cc2)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3c(C(=O)NCCN(CCN)CCN)cccc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3c(C(=O)NCCN(CCN)CCNC(=O)Cc4cnc[nH]4)cccc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3ccc(C(=O)NCCN(CCN)CCN)cc23)n1.Cc1nc(N)nc(CCCCCNc2c3ccccc3nc3ccc(C(=O)NCCN(CCN)CCNC(=O)Cc4cnc[nH]4)cc23)n1.
What is the InChIKey of N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide?
The InChIKey is MNDZGFGYNOIWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H44N12O2.C31H55N17.2C29H40N10O/c1-23-42-29(45-34(36)43-23)12-3-2-6-14-39-31-25-8-4-5-11-28(25)44-32-26(31)9-7-10-27(32)33(48)40-16-19-46(17-13-35)18-15-38-30(47)20-24-21-37-22-41-24;1-23-42-30(45-34(36)43-23)9-3-2-6-13-39-32-26-7-4-5-8-28(26)44-29-11-10-24(19-27(29)32)33(48)40-15-18-46(16-12-35)17-14-38-31(47)20-25-21-37-22-41-25;1-3-23-41-24(43-28(36)42-23)10-6-5-7-16-38-26(34)21-11-13-22(14-12-21)27(35)39-17-8-9-18-40-30-45-29(37)46-31(47-30)44-25(20-33)48(4-2)19-15-32;1-20-35-25(38-29(32)36-20)12-3-2-6-15-33-26-21-8-4-5-11-24(21)37-27-22(26)9-7-10-23(27)28(40)34-16-19-39(17-13-30)18-14-31;1-20-35-26(38-29(32)36-20)9-3-2-6-14-33-27-22-7-4-5-8-24(22)37-25-11-10-21(19-23(25)27)28(40)34-15-18-39(16-12-30)17-13-31/h4-5,7-11,21-22H,2-3,6,12-20,35H2,1H3,(H,37,41)(H,38,47)(H,39,44)(H,40,48)(H2,36,42,43,45);4-5,7-8,10-11,19,21-22H,2-3,6,9,12-18,20,35H2,1H3,(H,37,41)(H,38,47)(H,39,44)(H,40,48)(H2,36,42,43,45);11-14,25-26,38H,3-10,15-20,32-34H2,1-2H3,(H2,35,39)(H2,36,41,42,43)(H4,37,40,44,45,46,47);4-5,7-11H,2-3,6,12-19,30-31H2,1H3,(H,33,37)(H,34,40)(H2,32,35,36,38);4-5,7-8,10-11,19H,2-3,6,9,12-18,30-31H2,1H3,(H,33,37)(H,34,40)(H2,32,35,36,38).
What are the key properties of N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide?
N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide has a molecular weight of 3060.93 g/mol, XLogP of 9.52, 89 rotatable bonds, 31 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-amino-6-[[2-amino-1-[2-aminoethyl(ethyl)amino]ethyl]amino]-1,3,5-triazin-2-yl]amino]butyl]-4-[amino-[5-(4-amino-6-ethyl-1,3,5-triazin-2-yl)pentylamino]methyl]benzenecarboximidamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-2-carboxamide;N-[2-[2-aminoethyl-[2-[[2-(1H-imidazol-5-yl)acetyl]amino]ethyl]amino]ethyl]-9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]acridine-4-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-2-carboxamide;9-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)pentylamino]-N-[2-[bis(2-aminoethyl)amino]ethyl]acridine-4-carboxamide is sourced from PubChem (CID 159614927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).