N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide

C137H180F6N34O17S4 — CID 167658817

About N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide

N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide (PubChem CID 167658817) has the molecular formula C137H180F6N34O17S4 and a molecular weight of 2817.42 g/mol. Its IUPAC name is N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
• PubChem CID: 167658817
• Molecular Formula: C137H180F6N34O17S4
• Molecular Weight: 2817.42 g/mol
• Exact Mass: 2815.31
• IUPAC Name: N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide
• SMILES: CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnns2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCCC1.CC1CCC([C@H](NC(=O)c2ccnn2C(C)C)C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)CC1.CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)/C(=C/N)SC)C(=O)N2CCN(C)CC2)cc1F)C1CCCCCC1.C[C@@H](c1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)c2cncc(C#N)c2)C2CCCCCC2)c(F)c1)[C@@H](NC(=O)c1cnns1)C(=O)N1CCN(C)CC1
• InChI: InChI=1S/C35H40F3N9O4S.2C34H46FN9O4S.C34H48FN7O5S/c1-21(29(43-31(48)28-20-41-45-52-28)33(50)47-13-11-46(2)12-14-47)24-9-10-27(26(36)16-24)42-32(49)30(23-7-5-3-4-6-8-23)44-34(51)35(37,38)25-15-22(17-39)18-40-19-25;1-20(2)44-27(12-13-37-44)31(45)40-30(23-8-6-21(3)7-9-23)33(47)38-26-11-10-24(18-25(26)35)22(4)29(39-32(46)28-19-36-41-49-28)34(48)43-16-14-42(5)15-17-43;1-21(2)44-27(13-14-37-44)31(45)40-30(23-9-7-5-6-8-10-23)33(47)38-26-12-11-24(19-25(26)35)22(3)29(39-32(46)28-20-36-41-49-28)34(48)43-17-15-42(4)16-18-43;1-5-26-24(20-47-40-26)31(43)39-30(22-10-8-6-7-9-11-22)33(45)37-27-13-12-23(18-25(27)35)21(2)29(38-32(44)28(19-36)48-4)34(46)42-16-14-41(3)15-17-42/h9-10,15-16,18-21,23,29-30H,3-8,11-14H2,1-2H3,(H,42,49)(H,43,48)(H,44,51);10-13,18-23,29-30H,6-9,14-17H2,1-5H3,(H,38,47)(H,39,46)(H,40,45);11-14,19-23,29-30H,5-10,15-18H2,1-4H3,(H,38,47)(H,39,46)(H,40,45);12-13,18-22,29-30H,5-11,14-17,36H2,1-4H3,(H,37,45)(H,38,44)(H,39,43)/b;;;28-19-/t21-,29+,30-;21?,22-,23?,29+,30-;22-,29+,30-;21-,29+,30-/m0000/s1
• InChIKey: RQRKQDXCPXYCOL-QZEPAAHTSA-N
• XLogP: 14.95
• TPSA: 645.11 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 39
• Rotatable Bonds: 45
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2817.42
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?

The IUPAC name of N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide (CID 167658817) is N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide.

What is the SMILES notation for N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?

The canonical SMILES for N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide is CC(C)n1nccc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)c2cnns2)C(=O)N2CCN(C)CC2)cc1F)C1CCCCCC1.CC1CCC([C@H](NC(=O)c2ccnn2C(C)C)C(=O)Nc2ccc([C@H](C)[C@@H](NC(=O)c3cnns3)C(=O)N3CCN(C)CC3)cc2F)CC1.CCc1nocc1C(=O)N[C@H](C(=O)Nc1ccc([C@H](C)[C@@H](NC(=O)/C(=C/N)SC)C(=O)N2CCN(C)CC2)cc1F)C1CCCCCC1.C[C@@H](c1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)c2cncc(C#N)c2)C2CCCCCC2)c(F)c1)[C@@H](NC(=O)c1cnns1)C(=O)N1CCN(C)CC1.

What is the InChIKey of N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?

The InChIKey is RQRKQDXCPXYCOL-QZEPAAHTSA-N. The full InChI is InChI=1S/C35H40F3N9O4S.2C34H46FN9O4S.C34H48FN7O5S/c1-21(29(43-31(48)28-20-41-45-52-28)33(50)47-13-11-46(2)12-14-47)24-9-10-27(26(36)16-24)42-32(49)30(23-7-5-3-4-6-8-23)44-34(51)35(37,38)25-15-22(17-39)18-40-19-25;1-20(2)44-27(12-13-37-44)31(45)40-30(23-8-6-21(3)7-9-23)33(47)38-26-11-10-24(18-25(26)35)22(4)29(39-32(46)28-19-36-41-49-28)34(48)43-16-14-42(5)15-17-43;1-21(2)44-27(13-14-37-44)31(45)40-30(23-9-7-5-6-8-10-23)33(47)38-26-12-11-24(19-25(26)35)22(3)29(39-32(46)28-20-36-41-49-28)34(48)43-17-15-42(4)16-18-43;1-5-26-24(20-47-40-26)31(43)39-30(22-10-8-6-7-9-11-22)33(45)37-27-13-12-23(18-25(27)35)21(2)29(38-32(44)28(19-36)48-4)34(46)42-16-14-41(3)15-17-42/h9-10,15-16,18-21,23,29-30H,3-8,11-14H2,1-2H3,(H,42,49)(H,43,48)(H,44,51);10-13,18-23,29-30H,6-9,14-17H2,1-5H3,(H,38,47)(H,39,46)(H,40,45);11-14,19-23,29-30H,5-10,15-18H2,1-4H3,(H,38,47)(H,39,46)(H,40,45);12-13,18-22,29-30H,5-11,14-17,36H2,1-4H3,(H,37,45)(H,38,44)(H,39,43)/b;;;28-19-/t21-,29+,30-;21?,22-,23?,29+,30-;22-,29+,30-;21-,29+,30-/m0000/s1.

What are the key properties of N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide?

N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide has a molecular weight of 2817.42 g/mol, XLogP of 14.95, 45 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-[4-[(2S,3R)-3-[[(Z)-3-amino-2-methylsulfanylprop-2-enoyl]amino]-4-(4-methylpiperazin-1-yl)-4-oxobutan-2-yl]-2-fluoroanilino]-1-cycloheptyl-2-oxoethyl]-3-ethyl-1,2-oxazole-4-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-[[2-(5-cyano-3-pyridinyl)-2,2-difluoroacetyl]amino]-2-cycloheptylacetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[4-[[(2S)-2-cycloheptyl-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]-3-fluorophenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide;N-[(2R,3S)-3-[3-fluoro-4-[[(2S)-2-(4-methylcyclohexyl)-2-[(2-propan-2-ylpyrazole-3-carbonyl)amino]acetyl]amino]phenyl]-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]thiadiazole-5-carboxamide is sourced from PubChem (CID 167658817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).