1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate

C155H167BrCl3F5I2N24O14S6 — CID 162038656

About 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate

1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate (PubChem CID 162038656) has the molecular formula C155H167BrCl3F5I2N24O14S6 and a molecular weight of 3317.66 g/mol. Its IUPAC name is 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate.

Molecular Properties

• Compound Name: 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate
• PubChem CID: 162038656
• Molecular Formula: C155H167BrCl3F5I2N24O14S6
• Molecular Weight: 3317.66 g/mol
• Exact Mass: 3312.77
• IUPAC Name: 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate
• SMILES: C1COCCN1.CC(C)Cn1cnc(-c2cc3nccc(Cl)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.CC(C)Cn1cnc(I)c1.CCOC(C)CBr.COCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.Cc1ccc(O)c(F)c1.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4cn(CCN5CCOCC5)cn4)sc23)c(F)c1)CC1CC1.O=C(Cl)Oc1ccccc1
• InChI: InChI=1S/C28H29FN4O3S.C26H26FN3O2S.C24H22FN3O3S.C20H19FN4OS.C14H14ClN3S.C7H4ClNS.C7H5ClO2.C7H7FO.C7H11IN2.C5H11BrO.C4H9NO.C3H3IN2.C3H7N/c29-22-15-20(14-21(34)13-19-1-2-19)3-4-25(22)36-26-5-6-30-23-16-27(37-28(23)26)24-17-33(18-31-24)8-7-32-9-11-35-12-10-32;1-16(2)13-30-14-22(29-15-30)25-12-21-26(33-25)24(7-8-28-21)32-23-6-5-18(11-20(23)27)10-19(31)9-17-3-4-17;1-30-14-28-12-20(27-13-28)23-11-19-24(32-23)22(6-7-26-19)31-21-5-4-16(10-18(21)25)9-17(29)8-15-2-3-15;1-12(2)9-25-10-16(24-11-25)19-8-15-20(27-19)18(5-6-23-15)26-17-4-3-13(22)7-14(17)21;1-9(2)6-18-7-12(17-8-18)13-5-11-14(19-13)10(15)3-4-16-11;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;1-5-2-3-7(9)6(8)4-5;1-6(2)3-10-4-7(8)9-5-10;1-3-7-5(2)4-6;1-3-6-4-2-5-1;4-3-1-5-2-6-3;4-3-1-2-3/h3-6,15-19H,1-2,7-14H2;5-8,11-12,14-17H,3-4,9-10,13H2,1-2H3;4-7,10-13,15H,2-3,8-9,14H2,1H3;3-8,10-12H,9,22H2,1-2H3;3-5,7-9H,6H2,1-2H3;1-4H;1-5H;2-4,9H,1H3;4-6H,3H2,1-2H3;5H,3-4H2,1-2H3;5H,1-4H2;1-2H,(H,5,6);3H,1-2,4H2
• InChIKey: YWZBGCKUEQMIQZ-UHFFFAOYSA-N
• XLogP: 39.29
• TPSA: 451.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 42
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3317.66
LogP ≤ 5	39.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate?

The IUPAC name of 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate (CID 162038656) is 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate.

What is the SMILES notation for 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate?

The canonical SMILES for 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate is C1COCCN1.CC(C)Cn1cnc(-c2cc3nccc(Cl)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.CC(C)Cn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1.CC(C)Cn1cnc(I)c1.CCOC(C)CBr.COCn1cnc(-c2cc3nccc(Oc4ccc(CC(=O)CC5CC5)cc4F)c3s2)c1.Cc1ccc(O)c(F)c1.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.O=C(Cc1ccc(Oc2ccnc3cc(-c4cn(CCN5CCOCC5)cn4)sc23)c(F)c1)CC1CC1.O=C(Cl)Oc1ccccc1.

What is the InChIKey of 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate?

The InChIKey is YWZBGCKUEQMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3S.C26H26FN3O2S.C24H22FN3O3S.C20H19FN4OS.C14H14ClN3S.C7H4ClNS.C7H5ClO2.C7H7FO.C7H11IN2.C5H11BrO.C4H9NO.C3H3IN2.C3H7N/c29-22-15-20(14-21(34)13-19-1-2-19)3-4-25(22)36-26-5-6-30-23-16-27(37-28(23)26)24-17-33(18-31-24)8-7-32-9-11-35-12-10-32;1-16(2)13-30-14-22(29-15-30)25-12-21-26(33-25)24(7-8-28-21)32-23-6-5-18(11-20(23)27)10-19(31)9-17-3-4-17;1-30-14-28-12-20(27-13-28)23-11-19-24(32-23)22(6-7-26-19)31-21-5-4-16(10-18(21)25)9-17(29)8-15-2-3-15;1-12(2)9-25-10-16(24-11-25)19-8-15-20(27-19)18(5-6-23-15)26-17-4-3-13(22)7-14(17)21;1-9(2)6-18-7-12(17-8-18)13-5-11-14(19-13)10(15)3-4-16-11;8-5-1-3-9-6-2-4-10-7(5)6;8-7(9)10-6-4-2-1-3-5-6;1-5-2-3-7(9)6(8)4-5;1-6(2)3-10-4-7(8)9-5-10;1-3-7-5(2)4-6;1-3-6-4-2-5-1;4-3-1-5-2-6-3;4-3-1-2-3/h3-6,15-19H,1-2,7-14H2;5-8,11-12,14-17H,3-4,9-10,13H2,1-2H3;4-7,10-13,15H,2-3,8-9,14H2,1H3;3-8,10-12H,9,22H2,1-2H3;3-5,7-9H,6H2,1-2H3;1-4H;1-5H;2-4,9H,1H3;4-6H,3H2,1-2H3;5H,3-4H2,1-2H3;5H,1-4H2;1-2H,(H,5,6);3H,1-2,4H2.

What are the key properties of 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate?

1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate has a molecular weight of 3317.66 g/mol, XLogP of 39.29, 42 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-bromo-2-ethoxypropane;7-chloro-2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridine;7-chlorothieno[3,2-b]pyridine;cyclopropanamine;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;1-cyclopropyl-3-[3-fluoro-4-[2-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one;2-fluoro-4-methylphenol;3-fluoro-4-[2-[1-(2-methylpropyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxyaniline;5-iodo-1H-imidazole;4-iodo-1-(2-methylpropyl)imidazole;morpholine;phenyl carbonochloridate is sourced from PubChem (CID 162038656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).