[1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid

C159H136Cl4F5N12O28P7S3 — CID 158059024

IUPAC[1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
SMILESCc1ccc2scc(C(C(=O)Nc3ccc4ccccc4c3)P(=O)(O)O)c2c1.Cn1cc(C(C(=O)N/C=C/c2ccc(F)c(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2cccc(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.O=C(Nc1cc(NC(=O)C(c2cccc3ccccc23)P(=O)(O)O)cc2ccccc12)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.O=C(Nc1ccc2ccccc2c1)C(c1csc2ccc(Cl)cc12)P(=O)(O)O.O=C(Nc1ccc2ccccc2c1)C(c1csc2ccc(F)cc12)P(=O)(O)O
InChIInChI=1S/C39H34N3O6P.C21H18NO4PS.C20H18ClF2N2O3P.C20H19ClFN2O3P.C20H15ClNO4PS.C20H15FNO4PS.C19H17ClFN2O4P/c43-37(27-18-20-42(21-19-27)39(45)30-17-16-25-8-1-2-10-28(25)22-30)41-35-24-31(23-29-11-4-6-14-33(29)35)40-38(44)36(49(46,47)48)34-15-7-12-26-9-3-5-13-32(26)34;1-13-6-9-19-17(10-13)18(12-28-19)20(27(24,25)26)21(23)22-16-8-7-14-4-2-3-5-15(14)11-16;1-25-11-15(14-10-13(21)4-6-18(14)25)19(29(2,27)28)20(26)24-8-7-12-3-5-16(22)17(23)9-12;1-24-12-17(16-11-14(21)6-7-18(16)24)19(28(2,26)27)20(25)23-9-8-13-4-3-5-15(22)10-13;2*21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15;1-23-11-16(15-10-13(20)4-7-17(15)23)18(28(25,26)27)19(24)22-9-8-12-2-5-14(21)6-3-12/h1-17,22-24,27,36H,18-21H2,(H,40,44)(H,41,43)(H2,46,47,48);2-12,20H,1H3,(H,22,23)(H2,24,25,26);3-11,19H,1-2H3,(H,24,26)(H,27,28);3-12,19H,1-2H3,(H,23,25)(H,26,27);2*1-11,19H,(H,22,23)(H2,24,25,26);2-11,18H,1H3,(H,22,24)(H2,25,26,27)/b;;8-7+;9-8+;;;9-8+
InChIKeyFKKMLHNUUFHHBY-WLLXJDJXSA-N
MW3212.71 g/mol
LogP36.85
Rot. Bonds34

About [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid

[1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid (PubChem CID 158059024) has the molecular formula C159H136Cl4F5N12O28P7S3 and a molecular weight of 3212.71 g/mol. Its IUPAC name is [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
PubChem CID158059024
Molecular FormulaC159H136Cl4F5N12O28P7S3
Molecular Weight3212.71 g/mol
Exact Mass3208.56
IUPAC Name[1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
SMILESCc1ccc2scc(C(C(=O)Nc3ccc4ccccc4c3)P(=O)(O)O)c2c1.Cn1cc(C(C(=O)N/C=C/c2ccc(F)c(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2cccc(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.O=C(Nc1cc(NC(=O)C(c2cccc3ccccc23)P(=O)(O)O)cc2ccccc12)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.O=C(Nc1ccc2ccccc2c1)C(c1csc2ccc(Cl)cc12)P(=O)(O)O.O=C(Nc1ccc2ccccc2c1)C(c1csc2ccc(F)cc12)P(=O)(O)O
InChIInChI=1S/C39H34N3O6P.C21H18NO4PS.C20H18ClF2N2O3P.C20H19ClFN2O3P.C20H15ClNO4PS.C20H15FNO4PS.C19H17ClFN2O4P/c43-37(27-18-20-42(21-19-27)39(45)30-17-16-25-8-1-2-10-28(25)22-30)41-35-24-31(23-29-11-4-6-14-33(29)35)40-38(44)36(49(46,47)48)34-15-7-12-26-9-3-5-13-32(26)34;1-13-6-9-19-17(10-13)18(12-28-19)20(27(24,25)26)21(23)22-16-8-7-14-4-2-3-5-15(14)11-16;1-25-11-15(14-10-13(21)4-6-18(14)25)19(29(2,27)28)20(26)24-8-7-12-3-5-16(22)17(23)9-12;1-24-12-17(16-11-14(21)6-7-18(16)24)19(28(2,26)27)20(25)23-9-8-13-4-3-5-15(22)10-13;2*21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15;1-23-11-16(15-10-13(20)4-7-17(15)23)18(28(25,26)27)19(24)22-9-8-12-2-5-14(21)6-3-12/h1-17,22-24,27,36H,18-21H2,(H,40,44)(H,41,43)(H2,46,47,48);2-12,20H,1H3,(H,22,23)(H2,24,25,26);3-11,19H,1-2H3,(H,24,26)(H,27,28);3-12,19H,1-2H3,(H,23,25)(H,26,27);2*1-11,19H,(H,22,23)(H2,24,25,26);2-11,18H,1H3,(H,22,24)(H2,25,26,27)/b;;8-7+;9-8+;;;9-8+
InChIKeyFKKMLHNUUFHHBY-WLLXJDJXSA-N
XLogP36.85
TPSA630.15 Ų
H-Bond Donors20
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003212.71
LogP ≤ 536.85
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The IUPAC name of [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid (CID 158059024) is [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The canonical SMILES for [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid is Cc1ccc2scc(C(C(=O)Nc3ccc4ccccc4c3)P(=O)(O)O)c2c1.Cn1cc(C(C(=O)N/C=C/c2ccc(F)c(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2ccc(F)cc2)P(=O)(O)O)c2cc(Cl)ccc21.Cn1cc(C(C(=O)N/C=C/c2cccc(F)c2)P(C)(=O)O)c2cc(Cl)ccc21.O=C(Nc1cc(NC(=O)C(c2cccc3ccccc23)P(=O)(O)O)cc2ccccc12)C1CCN(C(=O)c2ccc3ccccc3c2)CC1.O=C(Nc1ccc2ccccc2c1)C(c1csc2ccc(Cl)cc12)P(=O)(O)O.O=C(Nc1ccc2ccccc2c1)C(c1csc2ccc(F)cc12)P(=O)(O)O.
What is the InChIKey of [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
The InChIKey is FKKMLHNUUFHHBY-WLLXJDJXSA-N. The full InChI is InChI=1S/C39H34N3O6P.C21H18NO4PS.C20H18ClF2N2O3P.C20H19ClFN2O3P.C20H15ClNO4PS.C20H15FNO4PS.C19H17ClFN2O4P/c43-37(27-18-20-42(21-19-27)39(45)30-17-16-25-8-1-2-10-28(25)22-30)41-35-24-31(23-29-11-4-6-14-33(29)35)40-38(44)36(49(46,47)48)34-15-7-12-26-9-3-5-13-32(26)34;1-13-6-9-19-17(10-13)18(12-28-19)20(27(24,25)26)21(23)22-16-8-7-14-4-2-3-5-15(14)11-16;1-25-11-15(14-10-13(21)4-6-18(14)25)19(29(2,27)28)20(26)24-8-7-12-3-5-16(22)17(23)9-12;1-24-12-17(16-11-14(21)6-7-18(16)24)19(28(2,26)27)20(25)23-9-8-13-4-3-5-15(22)10-13;2*21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15;1-23-11-16(15-10-13(20)4-7-17(15)23)18(28(25,26)27)19(24)22-9-8-12-2-5-14(21)6-3-12/h1-17,22-24,27,36H,18-21H2,(H,40,44)(H,41,43)(H2,46,47,48);2-12,20H,1H3,(H,22,23)(H2,24,25,26);3-11,19H,1-2H3,(H,24,26)(H,27,28);3-12,19H,1-2H3,(H,23,25)(H,26,27);2*1-11,19H,(H,22,23)(H2,24,25,26);2-11,18H,1H3,(H,22,24)(H2,25,26,27)/b;;8-7+;9-8+;;;9-8+.
What are the key properties of [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid?
[1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid has a molecular weight of 3212.71 g/mol, XLogP of 36.85, 34 rotatable bonds, 20 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3,4-difluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(3-fluorophenyl)ethenyl]amino]-2-oxoethyl]-methylphosphinic acid;[1-(5-chloro-1-methylindol-3-yl)-2-[[(E)-2-(4-fluorophenyl)ethenyl]amino]-2-oxoethyl]phosphonic acid;[1-(5-fluoro-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[1-(5-methyl-1-benzothiophen-3-yl)-2-(naphthalen-2-ylamino)-2-oxoethyl]phosphonic acid;[2-[[4-[[1-(naphthalene-2-carbonyl)piperidine-4-carbonyl]amino]naphthalen-2-yl]amino]-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 158059024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).