2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid

C122H160I27N8O21- — CID 161286370

IUPAC2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid
SMILESC.C.C.COC(=O)C(CN)CN(Cc1ccc(OC)cc1OC)C1Cc2ccccc2C1.COc1ccc(CN(CC(CN)CO)C2Cc3ccccc3C2)c(OC)c1.COc1ccc(CN(CC(CO)CCC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C2Cc3ccccc3C2)c(OC)c1.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.O=C(CCC(CO)CCC1Cc2ccccc2C1)c1ccc(C(=O)N2CCOCC2)cc1.O=C(O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C35H42N2O6.C27H33NO4.C23H30N2O4.C22H30N2O3.C12H13NO4.3CH4.I27/c1-41-32-13-12-30(34(21-32)42-2)23-37(31-19-28-5-3-4-6-29(28)20-31)22-25(24-38)7-14-33(39)26-8-10-27(11-9-26)35(40)36-15-17-43-18-16-36;29-19-20(5-6-21-17-24-3-1-2-4-25(24)18-21)7-12-26(30)22-8-10-23(11-9-22)27(31)28-13-15-32-16-14-28;1-27-21-9-8-18(22(12-21)28-2)14-25(15-19(13-24)23(26)29-3)20-10-16-6-4-5-7-17(16)11-20;1-26-21-8-7-19(22(11-21)27-2)14-24(13-16(12-23)15-25)20-9-17-5-3-4-6-18(17)10-20;14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16;;;;1-15-17(4)19(6)21(8)23(10)25(12)27(14)26(13)24(11)22(9)20(7)18(5)16(2)3/h3-6,8-13,21,25,31,38H,7,14-20,22-24H2,1-2H3;1-4,8-11,20-21,29H,5-7,12-19H2;4-9,12,19-20H,10-11,13-15,24H2,1-3H3;3-8,11,16,20,25H,9-10,12-15,23H2,1-2H3;1-4H,5-8H2,(H,15,16);3*1H4;/q;;;;;;;;-1
InChIKeyGSTNEZRAIPOLNJ-UHFFFAOYSA-N
MW5501.07 g/mol
LogP35.80
Rot. Bonds54

About 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid

2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid (PubChem CID 161286370) has the molecular formula C122H160I27N8O21- and a molecular weight of 5501.07 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid
PubChem CID161286370
Molecular FormulaC122H160I27N8O21-
Molecular Weight5501.07 g/mol
Exact Mass5499.59
IUPAC Name2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid
SMILESC.C.C.COC(=O)C(CN)CN(Cc1ccc(OC)cc1OC)C1Cc2ccccc2C1.COc1ccc(CN(CC(CN)CO)C2Cc3ccccc3C2)c(OC)c1.COc1ccc(CN(CC(CO)CCC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C2Cc3ccccc3C2)c(OC)c1.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.O=C(CCC(CO)CCC1Cc2ccccc2C1)c1ccc(C(=O)N2CCOCC2)cc1.O=C(O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C35H42N2O6.C27H33NO4.C23H30N2O4.C22H30N2O3.C12H13NO4.3CH4.I27/c1-41-32-13-12-30(34(21-32)42-2)23-37(31-19-28-5-3-4-6-29(28)20-31)22-25(24-38)7-14-33(39)26-8-10-27(11-9-26)35(40)36-15-17-43-18-16-36;29-19-20(5-6-21-17-24-3-1-2-4-25(24)18-21)7-12-26(30)22-8-10-23(11-9-22)27(31)28-13-15-32-16-14-28;1-27-21-9-8-18(22(12-21)28-2)14-25(15-19(13-24)23(26)29-3)20-10-16-6-4-5-7-17(16)11-20;1-26-21-8-7-19(22(11-21)27-2)14-24(13-16(12-23)15-25)20-9-17-5-3-4-6-18(17)10-20;14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16;;;;1-15-17(4)19(6)21(8)23(10)25(12)27(14)26(13)24(11)22(9)20(7)18(5)16(2)3/h3-6,8-13,21,25,31,38H,7,14-20,22-24H2,1-2H3;1-4,8-11,20-21,29H,5-7,12-19H2;4-9,12,19-20H,10-11,13-15,24H2,1-3H3;3-8,11,16,20,25H,9-10,12-15,23H2,1-2H3;1-4H,5-8H2,(H,15,16);3*1H4;/q;;;;;;;;-1
InChIKeyGSTNEZRAIPOLNJ-UHFFFAOYSA-N
XLogP35.80
TPSA364.19 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds54
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005501.07
LogP ≤ 535.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

(4R)-5-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-1-[2-ethoxy-4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]-4-hydroxypentan-1-one;4-[(4R)-5-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-4-hydroxypentanoyl]-3-ethoxybenzoic acid;(4S)-6-(2,3-dihydro-1H-inden-2-yl)-1-[2-ethoxy-4-(3-oxa-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]-4-hydroxyhexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;3-oxa-8-azabicyclo[3.2.1]octane;hydrochloride
CID 157074278
tert-butyl N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]carbamate
CID 118929093
N-[3-[2,3-dihydro-1H-inden-2-yl-[dimethoxy(phenyl)methyl]amino]-2-hydroxypropyl]-4-(morpholine-4-carbonyl)benzamide
CID 118918255
[2-[[(2,4-dimethoxyphenyl)methyl-(3,3-diphenylpropyl)amino]methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 3987278
4-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)pentan-1-one
CID 157445614
6-chloro-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]pyrazine-2-carboxamide
CID 118929059
2-(1-acetylpiperidin-4-yl)imino-N-[3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]-2-hydroxypropyl]-1,3-dihydroazepine-7-carboxamide
CID 145027158
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
N-(2,5-dimethoxyphenyl)-5-[4-(morpholine-4-carbonyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 46259620
methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate
CID 58997996
N-[(2R)-3-[2,3-dihydro-1H-inden-2-yl-[(4-hydroxy-2-methoxyphenyl)methyl]amino]-2-hydroxypropyl]-3-(methanesulfonamido)benzamide
CID 145027077

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid?
The IUPAC name of 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid (CID 161286370) is 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid?
The canonical SMILES for 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid is C.C.C.COC(=O)C(CN)CN(Cc1ccc(OC)cc1OC)C1Cc2ccccc2C1.COc1ccc(CN(CC(CN)CO)C2Cc3ccccc3C2)c(OC)c1.COc1ccc(CN(CC(CO)CCC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C2Cc3ccccc3C2)c(OC)c1.I[I-]I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I(I)I.O=C(CCC(CO)CCC1Cc2ccccc2C1)c1ccc(C(=O)N2CCOCC2)cc1.O=C(O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid?
The InChIKey is GSTNEZRAIPOLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2O6.C27H33NO4.C23H30N2O4.C22H30N2O3.C12H13NO4.3CH4.I27/c1-41-32-13-12-30(34(21-32)42-2)23-37(31-19-28-5-3-4-6-29(28)20-31)22-25(24-38)7-14-33(39)26-8-10-27(11-9-26)35(40)36-15-17-43-18-16-36;29-19-20(5-6-21-17-24-3-1-2-4-25(24)18-21)7-12-26(30)22-8-10-23(11-9-22)27(31)28-13-15-32-16-14-28;1-27-21-9-8-18(22(12-21)28-2)14-25(15-19(13-24)23(26)29-3)20-10-16-6-4-5-7-17(16)11-20;1-26-21-8-7-19(22(11-21)27-2)14-24(13-16(12-23)15-25)20-9-17-5-3-4-6-18(17)10-20;14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16;;;;1-15-17(4)19(6)21(8)23(10)25(12)27(14)26(13)24(11)22(9)20(7)18(5)16(2)3/h3-6,8-13,21,25,31,38H,7,14-20,22-24H2,1-2H3;1-4,8-11,20-21,29H,5-7,12-19H2;4-9,12,19-20H,10-11,13-15,24H2,1-3H3;3-8,11,16,20,25H,9-10,12-15,23H2,1-2H3;1-4H,5-8H2,(H,15,16);3*1H4;/q;;;;;;;;-1.
What are the key properties of 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid?
2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid has a molecular weight of 5501.07 g/mol, XLogP of 35.80, 54 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propan-1-ol;4-[[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-5-hydroxy-1-[4-(morpholine-4-carbonyl)phenyl]pentan-1-one;6-(2,3-dihydro-1H-inden-2-yl)-4-(hydroxymethyl)-1-[4-(morpholine-4-carbonyl)phenyl]hexan-1-one;diiodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo-[iodo(iodoiodanuidyl)-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodanyl]-λ3-iodane;methane;methyl 2-(aminomethyl)-3-[2,3-dihydro-1H-inden-2-yl-[(2,4-dimethoxyphenyl)methyl]amino]propanoate;4-(morpholine-4-carbonyl)benzoic acid is sourced from PubChem (CID 161286370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).