1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one

C167H211F15N20O10 — CID 159989841

IUPAC1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one
SMILESCC(C)N1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.CCN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(c5ccccc5)CC4)ccc32)CCCCC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCNCC4)ccc32)CCCCC1
InChIInChI=1S/C37H43F3N4O2.C34H45F3N4O2.C33H43F3N4O2.C32H41F3N4O2.C31H39F3N4O2/c38-37(39,40)46-31-15-13-29(14-16-31)33-27-44(20-8-5-11-35(45)36(41)18-6-2-7-19-36)34-17-12-28(25-32(33)34)26-42-21-23-43(24-22-42)30-9-3-1-4-10-30;1-25(2)40-20-18-39(19-21-40)23-26-9-14-31-29(22-26)30(27-10-12-28(13-11-27)43-34(35,36)37)24-41(31)17-7-4-8-32(42)33(38)15-5-3-6-16-33;1-2-38-18-20-39(21-19-38)23-25-9-14-30-28(22-25)29(26-10-12-27(13-11-26)42-33(34,35)36)24-40(30)17-7-4-8-31(41)32(37)15-5-3-6-16-32;1-37-17-19-38(20-18-37)22-24-8-13-29-27(21-24)28(25-9-11-26(12-10-25)41-32(33,34)35)23-39(29)16-6-3-7-30(40)31(36)14-4-2-5-15-31;32-31(33,34)40-25-10-8-24(9-11-25)27-22-38(17-5-2-6-29(39)30(35)13-3-1-4-14-30)28-12-7-23(20-26(27)28)21-37-18-15-36-16-19-37/h1,3-4,9-10,12-17,25,27H,2,5-8,11,18-24,26,41H2;9-14,22,24-25H,3-8,15-21,23,38H2,1-2H3;9-14,22,24H,2-8,15-21,23,37H2,1H3;8-13,21,23H,2-7,14-20,22,36H2,1H3;7-12,20,22,36H,1-6,13-19,21,35H2
InChIKeyOGUSAHNQQMBLSE-UHFFFAOYSA-N
MW2943.62 g/mol
LogP34.18
Rot. Bonds53

About 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one

1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one (PubChem CID 159989841) has the molecular formula C167H211F15N20O10 and a molecular weight of 2943.62 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one
PubChem CID159989841
Molecular FormulaC167H211F15N20O10
Molecular Weight2943.62 g/mol
Exact Mass2941.64
IUPAC Name1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one
SMILESCC(C)N1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.CCN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(c5ccccc5)CC4)ccc32)CCCCC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCNCC4)ccc32)CCCCC1
InChIInChI=1S/C37H43F3N4O2.C34H45F3N4O2.C33H43F3N4O2.C32H41F3N4O2.C31H39F3N4O2/c38-37(39,40)46-31-15-13-29(14-16-31)33-27-44(20-8-5-11-35(45)36(41)18-6-2-7-19-36)34-17-12-28(25-32(33)34)26-42-21-23-43(24-22-42)30-9-3-1-4-10-30;1-25(2)40-20-18-39(19-21-40)23-26-9-14-31-29(22-26)30(27-10-12-28(13-11-27)43-34(35,36)37)24-41(31)17-7-4-8-32(42)33(38)15-5-3-6-16-33;1-2-38-18-20-39(21-19-38)23-25-9-14-30-28(22-25)29(26-10-12-27(13-11-26)42-33(34,35)36)24-40(30)17-7-4-8-31(41)32(37)15-5-3-6-16-32;1-37-17-19-38(20-18-37)22-24-8-13-29-27(21-24)28(25-9-11-26(12-10-25)41-32(33,34)35)23-39(29)16-6-3-7-30(40)31(36)14-4-2-5-15-31;32-31(33,34)40-25-10-8-24(9-11-25)27-22-38(17-5-2-6-29(39)30(35)13-3-1-4-14-30)28-12-7-23(20-26(27)28)21-37-18-15-36-16-19-37/h1,3-4,9-10,12-17,25,27H,2,5-8,11,18-24,26,41H2;9-14,22,24-25H,3-8,15-21,23,38H2,1-2H3;9-14,22,24H,2-8,15-21,23,37H2,1H3;8-13,21,23H,2-7,14-20,22,36H2,1H3;7-12,20,22,36H,1-6,13-19,21,35H2
InChIKeyOGUSAHNQQMBLSE-UHFFFAOYSA-N
XLogP34.18
TPSA327.44 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds53
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002943.62
LogP ≤ 534.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one with MolForge

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Related Compounds

4-amino-N-[3-[5-[[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129200794
4-amino-N-[3-[5-[[5-[(2-methoxyphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129200795
4-amino-N-[3-[5-[[5-[(2-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129200797
4-amino-N-[3-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129200817
4-amino-N-[3-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethoxy)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129200819
N-[3-[5-[[5-[(2,6-difluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperazine-2-carboxamide
CID 129200824
N-[3-[5-[(5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperazine-2-carboxamide
CID 129201042
4-amino-N-[3-[5-[[5-[(2,6-dimethylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129201225
4-amino-N-[3-[5-[[5-[[2,6-bis(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129201226
4-amino-N-[3-[5-[[5-[(2-methylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129201227
4-amino-N-[3-[3-[4-(trifluoromethoxy)phenyl]-5-[[5-[[2-(trifluoromethyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]indol-1-yl]propyl]piperidine-4-carboxamide
CID 129201229
N-[3-[5-[[5-[(2-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]propyl]piperazine-2-carboxamide
CID 129201232

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one?
The IUPAC name of 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one (CID 159989841) is 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one.
What is the SMILES notation for 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one?
The canonical SMILES for 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one is CC(C)N1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.CCN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.CN1CCN(Cc2ccc3c(c2)c(-c2ccc(OC(F)(F)F)cc2)cn3CCCCC(=O)C2(N)CCCCC2)CC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCN(c5ccccc5)CC4)ccc32)CCCCC1.NC1(C(=O)CCCCn2cc(-c3ccc(OC(F)(F)F)cc3)c3cc(CN4CCNCC4)ccc32)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one?
The InChIKey is OGUSAHNQQMBLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43F3N4O2.C34H45F3N4O2.C33H43F3N4O2.C32H41F3N4O2.C31H39F3N4O2/c38-37(39,40)46-31-15-13-29(14-16-31)33-27-44(20-8-5-11-35(45)36(41)18-6-2-7-19-36)34-17-12-28(25-32(33)34)26-42-21-23-43(24-22-42)30-9-3-1-4-10-30;1-25(2)40-20-18-39(19-21-40)23-26-9-14-31-29(22-26)30(27-10-12-28(13-11-27)43-34(35,36)37)24-41(31)17-7-4-8-32(42)33(38)15-5-3-6-16-33;1-2-38-18-20-39(21-19-38)23-25-9-14-30-28(22-25)29(26-10-12-27(13-11-26)42-33(34,35)36)24-40(30)17-7-4-8-31(41)32(37)15-5-3-6-16-32;1-37-17-19-38(20-18-37)22-24-8-13-29-27(21-24)28(25-9-11-26(12-10-25)41-32(33,34)35)23-39(29)16-6-3-7-30(40)31(36)14-4-2-5-15-31;32-31(33,34)40-25-10-8-24(9-11-25)27-22-38(17-5-2-6-29(39)30(35)13-3-1-4-14-30)28-12-7-23(20-26(27)28)21-37-18-15-36-16-19-37/h1,3-4,9-10,12-17,25,27H,2,5-8,11,18-24,26,41H2;9-14,22,24-25H,3-8,15-21,23,38H2,1-2H3;9-14,22,24H,2-8,15-21,23,37H2,1H3;8-13,21,23H,2-7,14-20,22,36H2,1H3;7-12,20,22,36H,1-6,13-19,21,35H2.
What are the key properties of 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one?
1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one has a molecular weight of 2943.62 g/mol, XLogP of 34.18, 53 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one is sourced from PubChem (CID 159989841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).