1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate

C131H172F3N23O10 — CID 159691096

IUPAC1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate
SMILESCC(C)c1cc(CCc2c[nH]c3ccccc23)cc(CC(=O)OCCN2CCN(C)CC2)c1.CCCCc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OC(F)(F)F)c1Cc1c[nH]c2ccccc12.CCCCc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OC)c1Cc1c[nH]c2ccccc12.CCCOc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OCc2cc3ccccc3[nH]2)c1.[H]/N=C(\N)CCNC(=O)Nc1ccc(Cc2c[nH]c3ccccc23)c(CC)c1
InChIInChI=1S/C28H36F3N5O2.C28H39N5O2.C28H37N3O2.C26H35N5O3.C21H25N5O/c1-3-4-7-20-16-22(34-27(37)32-10-11-36-14-12-35(2)13-15-36)18-26(38-28(29,30)31)24(20)17-21-19-33-25-9-6-5-8-23(21)25;1-4-5-8-21-17-23(31-28(34)29-11-12-33-15-13-32(2)14-16-33)19-27(35-3)25(21)18-22-20-30-26-10-7-6-9-24(22)26;1-21(2)25-17-22(8-9-24-20-29-27-7-5-4-6-26(24)27)16-23(18-25)19-28(32)33-15-14-31-12-10-30(3)11-13-31;1-3-14-33-23-16-21(29-26(32)27-8-9-31-12-10-30(2)11-13-31)17-24(18-23)34-19-22-15-20-6-4-5-7-25(20)28-22;1-2-14-12-17(26-21(27)24-10-9-20(22)23)8-7-15(14)11-16-13-25-19-6-4-3-5-18(16)19/h5-6,8-9,16,18-19,33H,3-4,7,10-15,17H2,1-2H3,(H2,32,34,37);6-7,9-10,17,19-20,30H,4-5,8,11-16,18H2,1-3H3,(H2,29,31,34);4-7,16-18,20-21,29H,8-15,19H2,1-3H3;4-7,15-18,28H,3,8-14,19H2,1-2H3,(H2,27,29,32);3-8,12-13,25H,2,9-11H2,1H3,(H3,22,23)(H2,24,26,27)
InChIKeyMWKQGRVJAVVXTD-UHFFFAOYSA-N
MW2285.96 g/mol
LogP21.93
Rot. Bonds46

About 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate

1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate (PubChem CID 159691096) has the molecular formula C131H172F3N23O10 and a molecular weight of 2285.96 g/mol. Its IUPAC name is 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate.

Molecular Properties

Compound Name1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate
PubChem CID159691096
Molecular FormulaC131H172F3N23O10
Molecular Weight2285.96 g/mol
Exact Mass2284.36
IUPAC Name1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate
SMILESCC(C)c1cc(CCc2c[nH]c3ccccc23)cc(CC(=O)OCCN2CCN(C)CC2)c1.CCCCc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OC(F)(F)F)c1Cc1c[nH]c2ccccc12.CCCCc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OC)c1Cc1c[nH]c2ccccc12.CCCOc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OCc2cc3ccccc3[nH]2)c1.[H]/N=C(\N)CCNC(=O)Nc1ccc(Cc2c[nH]c3ccccc23)c(CC)c1
InChIInChI=1S/C28H36F3N5O2.C28H39N5O2.C28H37N3O2.C26H35N5O3.C21H25N5O/c1-3-4-7-20-16-22(34-27(37)32-10-11-36-14-12-35(2)13-15-36)18-26(38-28(29,30)31)24(20)17-21-19-33-25-9-6-5-8-23(21)25;1-4-5-8-21-17-23(31-28(34)29-11-12-33-15-13-32(2)14-16-33)19-27(35-3)25(21)18-22-20-30-26-10-7-6-9-24(22)26;1-21(2)25-17-22(8-9-24-20-29-27-7-5-4-6-26(24)27)16-23(18-25)19-28(32)33-15-14-31-12-10-30(3)11-13-31;1-3-14-33-23-16-21(29-26(32)27-8-9-31-12-10-30(2)11-13-31)17-24(18-23)34-19-22-15-20-6-4-5-7-25(20)28-22;1-2-14-12-17(26-21(27)24-10-9-20(22)23)8-7-15(14)11-16-13-25-19-6-4-3-5-18(16)19/h5-6,8-9,16,18-19,33H,3-4,7,10-15,17H2,1-2H3,(H2,32,34,37);6-7,9-10,17,19-20,30H,4-5,8,11-16,18H2,1-3H3,(H2,29,31,34);4-7,16-18,20-21,29H,8-15,19H2,1-3H3;4-7,15-18,28H,3,8-14,19H2,1-2H3,(H2,27,29,32);3-8,12-13,25H,2,9-11H2,1H3,(H3,22,23)(H2,24,26,27)
InChIKeyMWKQGRVJAVVXTD-UHFFFAOYSA-N
XLogP21.93
TPSA382.48 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds46
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002285.96
LogP ≤ 521.93
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate with MolForge

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Related Compounds

1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-ethylpiperidin-3-amine;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methoxy-5-methylphenyl)piperidin-4-amine;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxyphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[3-[(3-methoxyphenyl)methyl]azetidin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 161273408
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methoxy-5-methylphenyl)piperidin-4-amine;1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]-N-(3-methylphenyl)piperidin-4-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxyphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[3-[(3-methoxyphenyl)methyl]azetidin-1-yl]methyl]indol-1-yl]propan-1-amine
CID 161283546
1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;3-(4,5-dimethyl-1H-indol-3-yl)-1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;1-(5-fluoro-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-piperidin-1-yl-1H-indol-3-yl)butan-1-one;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-propan-2-yloxy-1H-indol-3-yl)butan-1-one
CID 160529092
1-[3-(1H-benzimidazol-2-ylmethyl)-5-butylphenyl]-5-(4-methylpiperazin-1-yl)pentan-2-one;1-[2-butyl-4-hydroxy-3-(1H-indol-3-ylmethyl)phenyl]-5-(4,4-dimethylpiperazin-4-ium-1-yl)pentan-2-one;1-[3-butyl-5-(1H-indol-3-ylmethyl)phenyl]-5-piperidin-4-ylpentan-2-one;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-(2-piperazin-1-ylethyl)urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-(2-piperidin-4-ylethyl)urea;iodide
CID 160688254
8-[(1-butyl-6-methoxyindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;pentakis(carbon dioxide);2-[4-[8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]phenyl]-2-methylpropanoic acid;bis(8-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one);8-[(6-methoxy-1H-indol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[(6-methoxy-1-phenylindol-3-yl)methyl]-3-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 160993807
1-(2-aminoethyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-5-hydroxy-4-(1H-indol-3-ylmethyl)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;[3-butyl-5-(1H-indol-3-ylmethoxy)phenyl] 4-(4-methylpiperazin-1-yl)butanoate;1-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea;1-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]-3-(2-piperazin-1-ylethyl)urea
CID 161406944

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate?
The IUPAC name of 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate (CID 159691096) is 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate.
What is the SMILES notation for 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate?
The canonical SMILES for 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate is CC(C)c1cc(CCc2c[nH]c3ccccc23)cc(CC(=O)OCCN2CCN(C)CC2)c1.CCCCc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OC(F)(F)F)c1Cc1c[nH]c2ccccc12.CCCCc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OC)c1Cc1c[nH]c2ccccc12.CCCOc1cc(NC(=O)NCCN2CCN(C)CC2)cc(OCc2cc3ccccc3[nH]2)c1.[H]/N=C(\N)CCNC(=O)Nc1ccc(Cc2c[nH]c3ccccc23)c(CC)c1.
What is the InChIKey of 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate?
The InChIKey is MWKQGRVJAVVXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F3N5O2.C28H39N5O2.C28H37N3O2.C26H35N5O3.C21H25N5O/c1-3-4-7-20-16-22(34-27(37)32-10-11-36-14-12-35(2)13-15-36)18-26(38-28(29,30)31)24(20)17-21-19-33-25-9-6-5-8-23(21)25;1-4-5-8-21-17-23(31-28(34)29-11-12-33-15-13-32(2)14-16-33)19-27(35-3)25(21)18-22-20-30-26-10-7-6-9-24(22)26;1-21(2)25-17-22(8-9-24-20-29-27-7-5-4-6-26(24)27)16-23(18-25)19-28(32)33-15-14-31-12-10-30(3)11-13-31;1-3-14-33-23-16-21(29-26(32)27-8-9-31-12-10-30(2)11-13-31)17-24(18-23)34-19-22-15-20-6-4-5-7-25(20)28-22;1-2-14-12-17(26-21(27)24-10-9-20(22)23)8-7-15(14)11-16-13-25-19-6-4-3-5-18(16)19/h5-6,8-9,16,18-19,33H,3-4,7,10-15,17H2,1-2H3,(H2,32,34,37);6-7,9-10,17,19-20,30H,4-5,8,11-16,18H2,1-3H3,(H2,29,31,34);4-7,16-18,20-21,29H,8-15,19H2,1-3H3;4-7,15-18,28H,3,8-14,19H2,1-2H3,(H2,27,29,32);3-8,12-13,25H,2,9-11H2,1H3,(H3,22,23)(H2,24,26,27).
What are the key properties of 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate?
1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate has a molecular weight of 2285.96 g/mol, XLogP of 21.93, 46 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-iminopropyl)-3-[3-ethyl-4-(1H-indol-3-ylmethyl)phenyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-methoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-butyl-4-(1H-indol-3-ylmethyl)-5-(trifluoromethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;1-[3-(1H-indol-2-ylmethoxy)-5-propoxyphenyl]-3-[2-(4-methylpiperazin-1-yl)ethyl]urea;2-(4-methylpiperazin-1-yl)ethyl 2-[3-[2-(1H-indol-3-yl)ethyl]-5-propan-2-ylphenyl]acetate is sourced from PubChem (CID 159691096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).