acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine

C156H158F15N15O15 — CID 159607002

IUPACacetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine
SMILESCC(=O)O.CC(C(=O)N1C(=O)OC[C@H]1c1ccccc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1N)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](C(=O)O)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.Nc1ccc(C(F)(F)F)cc1N.O=C(CC1CCC(c2ccnc3ccc(F)cc23)CC1)N1C(=O)OC[C@H]1c1ccccc1.O=C(O)CC1CCC(c2ccnc3ccc(F)cc23)CC1.O=C1N[C@H](c2ccccc2)CO1
InChIInChI=1S/C27H27FN2O3.C26H25FN2O3.C25H25F4N3O.C25H23F4N3.C18H20FNO2.C17H18FNO2.C9H9NO2.C7H7F3N2.C2H4O2/c1-17(26(31)30-25(16-33-27(30)32)20-5-3-2-4-6-20)18-7-9-19(10-8-18)22-13-14-29-24-12-11-21(28)15-23(22)24;27-20-10-11-23-22(15-20)21(12-13-28-23)18-8-6-17(7-9-18)14-25(30)29-24(16-32-26(29)31)19-4-2-1-3-5-19;1-14(24(33)32-23-8-6-17(12-21(23)30)25(27,28)29)15-2-4-16(5-3-15)19-10-11-31-22-9-7-18(26)13-20(19)22;1-14(24-31-22-8-6-17(25(27,28)29)12-23(22)32-24)15-2-4-16(5-3-15)19-10-11-30-21-9-7-18(26)13-20(19)21;1-11(18(21)22)12-2-4-13(5-3-12)15-8-9-20-17-7-6-14(19)10-16(15)17;18-13-5-6-16-15(10-13)14(7-8-19-16)12-3-1-11(2-4-12)9-17(20)21;11-9-10-8(6-12-9)7-4-2-1-3-5-7;8-7(9,10)4-1-2-5(11)6(12)3-4;1-2(3)4/h2-6,11-15,17-19,25H,7-10,16H2,1H3;1-5,10-13,15,17-18,24H,6-9,14,16H2;6-16H,2-5,30H2,1H3,(H,32,33);6-16H,2-5H2,1H3,(H,31,32);6-13H,2-5H2,1H3,(H,21,22);5-8,10-12H,1-4,9H2,(H,20,21);1-5,8H,6H2,(H,10,11);1-3H,11-12H2;1H3,(H,3,4)/t17?,18?,19?,25-;17?,18?,24-;2*14-,15?,16?;11-,12?,13?;;8-;;/m00111.0../s1
InChIKeyPDLAQBRBGCDPKF-MGCONWFVSA-N
MW2768.04 g/mol
LogP37.55
Rot. Bonds22

About acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine

acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 159607002) has the molecular formula C156H158F15N15O15 and a molecular weight of 2768.04 g/mol. Its IUPAC name is acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Nameacetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID159607002
Molecular FormulaC156H158F15N15O15
Molecular Weight2768.04 g/mol
Exact Mass2766.18
IUPAC Nameacetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine
SMILESCC(=O)O.CC(C(=O)N1C(=O)OC[C@H]1c1ccccc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1N)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](C(=O)O)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.Nc1ccc(C(F)(F)F)cc1N.O=C(CC1CCC(c2ccnc3ccc(F)cc23)CC1)N1C(=O)OC[C@H]1c1ccccc1.O=C(O)CC1CCC(c2ccnc3ccc(F)cc23)CC1.O=C1N[C@H](c2ccccc2)CO1
InChIInChI=1S/C27H27FN2O3.C26H25FN2O3.C25H25F4N3O.C25H23F4N3.C18H20FNO2.C17H18FNO2.C9H9NO2.C7H7F3N2.C2H4O2/c1-17(26(31)30-25(16-33-27(30)32)20-5-3-2-4-6-20)18-7-9-19(10-8-18)22-13-14-29-24-12-11-21(28)15-23(22)24;27-20-10-11-23-22(15-20)21(12-13-28-23)18-8-6-17(7-9-18)14-25(30)29-24(16-32-26(29)31)19-4-2-1-3-5-19;1-14(24(33)32-23-8-6-17(12-21(23)30)25(27,28)29)15-2-4-16(5-3-15)19-10-11-31-22-9-7-18(26)13-20(19)22;1-14(24-31-22-8-6-17(25(27,28)29)12-23(22)32-24)15-2-4-16(5-3-15)19-10-11-30-21-9-7-18(26)13-20(19)21;1-11(18(21)22)12-2-4-13(5-3-12)15-8-9-20-17-7-6-14(19)10-16(15)17;18-13-5-6-16-15(10-13)14(7-8-19-16)12-3-1-11(2-4-12)9-17(20)21;11-9-10-8(6-12-9)7-4-2-1-3-5-7;8-7(9,10)4-1-2-5(11)6(12)3-4;1-2(3)4/h2-6,11-15,17-19,25H,7-10,16H2,1H3;1-5,10-13,15,17-18,24H,6-9,14,16H2;6-16H,2-5,30H2,1H3,(H,32,33);6-16H,2-5H2,1H3,(H,31,32);6-13H,2-5H2,1H3,(H,21,22);5-8,10-12H,1-4,9H2,(H,20,21);1-5,8H,6H2,(H,10,11);1-3H,11-12H2;1H3,(H,3,4)/t17?,18?,19?,25-;17?,18?,24-;2*14-,15?,16?;11-,12?,13?;;8-;;/m00111.0../s1
InChIKeyPDLAQBRBGCDPKF-MGCONWFVSA-N
XLogP37.55
TPSA456.63 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002768.04
LogP ≤ 537.55
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine with MolForge

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Related Compounds

[1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2R)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87306322
[[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2R)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl] 2,2,2-trifluoroacetate
CID 87306324
[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2R)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87306326
[(2R)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinoxalin-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxo-4-phenylbutan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87306476
[(2R)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinoxalin-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87307079
[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87307300
methyl-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamic acid;2,2,2-trifluoroacetic acid
CID 87307421
[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinoxalin-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87307649
[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-3-pyridin-2-ylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87307681
[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87307844
[(2S)-1-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinoxalin-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxo-4-phenylbutan-2-yl]-methylcarbamic acid;2,2,2-trifluoroacetic acid
CID 87307902
methyl N-[(2S,11S)-2-[5-[7-[4-[2-[(2S)-4,4-difluoro-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinolin-3-yl]-1H-imidazol-2-yl]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-11-yl]carbamate;2,2,2-trifluoroacetic acid
CID 88879861

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine (CID 159607002) is acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine is CC(=O)O.CC(C(=O)N1C(=O)OC[C@H]1c1ccccc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1N)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](C(=O)O)C1CCC(c2ccnc3ccc(F)cc23)CC1.C[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)C1CCC(c2ccnc3ccc(F)cc23)CC1.Nc1ccc(C(F)(F)F)cc1N.O=C(CC1CCC(c2ccnc3ccc(F)cc23)CC1)N1C(=O)OC[C@H]1c1ccccc1.O=C(O)CC1CCC(c2ccnc3ccc(F)cc23)CC1.O=C1N[C@H](c2ccccc2)CO1.
What is the InChIKey of acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is PDLAQBRBGCDPKF-MGCONWFVSA-N. The full InChI is InChI=1S/C27H27FN2O3.C26H25FN2O3.C25H25F4N3O.C25H23F4N3.C18H20FNO2.C17H18FNO2.C9H9NO2.C7H7F3N2.C2H4O2/c1-17(26(31)30-25(16-33-27(30)32)20-5-3-2-4-6-20)18-7-9-19(10-8-18)22-13-14-29-24-12-11-21(28)15-23(22)24;27-20-10-11-23-22(15-20)21(12-13-28-23)18-8-6-17(7-9-18)14-25(30)29-24(16-32-26(29)31)19-4-2-1-3-5-19;1-14(24(33)32-23-8-6-17(12-21(23)30)25(27,28)29)15-2-4-16(5-3-15)19-10-11-31-22-9-7-18(26)13-20(19)22;1-14(24-31-22-8-6-17(25(27,28)29)12-23(22)32-24)15-2-4-16(5-3-15)19-10-11-30-21-9-7-18(26)13-20(19)21;1-11(18(21)22)12-2-4-13(5-3-12)15-8-9-20-17-7-6-14(19)10-16(15)17;18-13-5-6-16-15(10-13)14(7-8-19-16)12-3-1-11(2-4-12)9-17(20)21;11-9-10-8(6-12-9)7-4-2-1-3-5-7;8-7(9,10)4-1-2-5(11)6(12)3-4;1-2(3)4/h2-6,11-15,17-19,25H,7-10,16H2,1H3;1-5,10-13,15,17-18,24H,6-9,14,16H2;6-16H,2-5,30H2,1H3,(H,32,33);6-16H,2-5H2,1H3,(H,31,32);6-13H,2-5H2,1H3,(H,21,22);5-8,10-12H,1-4,9H2,(H,20,21);1-5,8H,6H2,(H,10,11);1-3H,11-12H2;1H3,(H,3,4)/t17?,18?,19?,25-;17?,18?,24-;2*14-,15?,16?;11-,12?,13?;;8-;;/m00111.0../s1.
What are the key properties of acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine?
acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 2768.04 g/mol, XLogP of 37.55, 22 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2R)-N-[2-amino-4-(trifluoromethyl)phenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]acetyl]-4-phenyl-1,3-oxazolidin-2-one;(2R)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoic acid;(4R)-3-[2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one;6-fluoro-4-[4-[(1R)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclohexyl]quinoline;(4R)-4-phenyl-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 159607002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).