(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride

C116H169ClF3N15O21S3 — CID 162217464

About (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride

(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride (PubChem CID 162217464) has the molecular formula C116H169ClF3N15O21S3 and a molecular weight of 2298.36 g/mol. Its IUPAC name is (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride.

Molecular Properties

• Compound Name: (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride
• PubChem CID: 162217464
• Molecular Formula: C116H169ClF3N15O21S3
• Molecular Weight: 2298.36 g/mol
• Exact Mass: 2296.14
• IUPAC Name: (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride
• SMILES: CC(C)=C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@H]12.CO.COC1(OC)CO[C@@H]2[C@H](C=C(C)C)CN(C(=O)OC(C)(C)C)[C@@H]21.COC1(OC)CO[C@@H]2[C@H](C=C(C)C)CN(C(=O)[C@@H](C)CC(C)C)[C@@H]21.COC1(OC)CO[C@@H]2[C@H](C=C(C)C)CN(C(=O)[C@H](CC(C)C)NC(=O)c3ccc(-c4nc(N5CCN(C)CC5)sc4F)cc3)[C@@H]21.C[NH+]1CCN(c2nc(-c3ccc(C(=O)O)cc3)c(F)s2)CC1.[Cl-]
• InChI: InChI=1S/C33H46FN5O5S.C31H40FN5O4S.C19H33NO4.C17H29NO5.C15H16FN3O2S.CH4O.ClH/c1-20(2)16-24-18-39(28-27(24)44-19-33(28,42-6)43-7)31(41)25(17-21(3)4)35-30(40)23-10-8-22(9-11-23)26-29(34)45-32(36-26)38-14-12-37(5)13-15-38;1-18(2)14-22-16-37(26-24(38)17-41-27(22)26)30(40)23(15-19(3)4)33-29(39)21-8-6-20(7-9-21)25-28(32)42-31(34-25)36-12-10-35(5)11-13-36;1-12(2)8-14(5)18(21)20-10-15(9-13(3)4)16-17(20)19(22-6,23-7)11-24-16;1-11(2)8-12-9-18(15(19)23-16(3,4)5)14-13(12)22-10-17(14,20-6)21-7;1-18-6-8-19(9-7-18)15-17-12(13(16)22-15)10-2-4-11(5-3-10)14(20)21;1-2;/h8-11,16,21,24-25,27-28H,12-15,17-19H2,1-7H3,(H,35,40);6-9,14,19,22-23,26-27H,10-13,15-17H2,1-5H3,(H,33,39);9,12,14-17H,8,10-11H2,1-7H3;8,12-14H,9-10H2,1-7H3;2-5H,6-9H2,1H3,(H,20,21);2H,1H3;1H/t24-,25+,27-,28+;22-,23+,26-,27-;14-,15+,16+,17-;12-,13-,14+;;;/m1101.../s1
• InChIKey: XDNGMWDSOBKJRH-VKMOPJDJSA-N
• XLogP: 10.65
• TPSA: 374.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2298.36
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride?

The IUPAC name of (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride (CID 162217464) is (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride.

What is the SMILES notation for (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride?

The canonical SMILES for (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride is CC(C)=C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)c2ccc(-c3nc(N4CCN(C)CC4)sc3F)cc2)[C@@H]2C(=O)CO[C@H]12.CO.COC1(OC)CO[C@@H]2[C@H](C=C(C)C)CN(C(=O)OC(C)(C)C)[C@@H]21.COC1(OC)CO[C@@H]2[C@H](C=C(C)C)CN(C(=O)[C@@H](C)CC(C)C)[C@@H]21.COC1(OC)CO[C@@H]2[C@H](C=C(C)C)CN(C(=O)[C@H](CC(C)C)NC(=O)c3ccc(-c4nc(N5CCN(C)CC5)sc4F)cc3)[C@@H]21.C[NH+]1CCN(c2nc(-c3ccc(C(=O)O)cc3)c(F)s2)CC1.[Cl-].

What is the InChIKey of (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride?

The InChIKey is XDNGMWDSOBKJRH-VKMOPJDJSA-N. The full InChI is InChI=1S/C33H46FN5O5S.C31H40FN5O4S.C19H33NO4.C17H29NO5.C15H16FN3O2S.CH4O.ClH/c1-20(2)16-24-18-39(28-27(24)44-19-33(28,42-6)43-7)31(41)25(17-21(3)4)35-30(40)23-10-8-22(9-11-23)26-29(34)45-32(36-26)38-14-12-37(5)13-15-38;1-18(2)14-22-16-37(26-24(38)17-41-27(22)26)30(40)23(15-19(3)4)33-29(39)21-8-6-20(7-9-21)25-28(32)42-31(34-25)36-12-10-35(5)11-13-36;1-12(2)8-14(5)18(21)20-10-15(9-13(3)4)16-17(20)19(22-6,23-7)11-24-16;1-11(2)8-12-9-18(15(19)23-16(3,4)5)14-13(12)22-10-17(14,20-6)21-7;1-18-6-8-19(9-7-18)15-17-12(13(16)22-15)10-2-4-11(5-3-10)14(20)21;1-2;/h8-11,16,21,24-25,27-28H,12-15,17-19H2,1-7H3,(H,35,40);6-9,14,19,22-23,26-27H,10-13,15-17H2,1-5H3,(H,33,39);9,12,14-17H,8,10-11H2,1-7H3;8,12-14H,9-10H2,1-7H3;2-5H,6-9H2,1H3,(H,20,21);2H,1H3;1H/t24-,25+,27-,28+;22-,23+,26-,27-;14-,15+,16+,17-;12-,13-,14+;;;/m1101.../s1.

What are the key properties of (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride?

(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride has a molecular weight of 2298.36 g/mol, XLogP of 10.65, 30 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-2,4-dimethylpentan-1-one;N-[(2S)-1-[(3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;N-[(2S)-1-[(3aS,6R,6aR)-6-(2-methylprop-1-enyl)-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-[5-fluoro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide;tert-butyl (3aS,6R,6aR)-3,3-dimethoxy-6-(2-methylprop-1-enyl)-3a,5,6,6a-tetrahydro-2H-furo[3,2-b]pyrrole-4-carboxylate;4-[5-fluoro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzoic acid;methanol;chloride is sourced from PubChem (CID 162217464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).