6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one

C237H218Cl20F6N72O35 — CID 163413985

About 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one

6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one (PubChem CID 163413985) has the molecular formula C237H218Cl20F6N72O35 and a molecular weight of 5457.87 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one.

Molecular Properties

• Compound Name: 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one
• PubChem CID: 163413985
• Molecular Formula: C237H218Cl20F6N72O35
• Molecular Weight: 5457.87 g/mol
• Exact Mass: 5445.12
• IUPAC Name: 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one
• SMILES: C=C1C=NN(c2cc(C)c(Cc3cnc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4n[nH]c(C(C)C)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccccc4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(=C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)(C)O)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C4CC(F)(F)C4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCCCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCOC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCOCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccccc3)c(Cl)c2)N=C1N.[H]/N=C(\C=C(/C(N)=O)[C@@H](C)C1CC(F)(F)C1)Oc1c(Cl)cc(N2N=C(N)C(=C)NC2=O)cc1Cl.[H]/N=C(\C=C(/C(N)=O)[C@H](C)C1CC(F)(F)C1)Oc1c(Cl)cc(N2N=C(N)C(=C)NC2=O)cc1Cl
• InChI: InChI=1S/C24H24N6O.C22H24N6O.C20H18Cl2F2N6O3.2C20H20Cl2F2N6O3.C20H20Cl2N6O3.2C20H14Cl2N6O3.C19H18Cl2N6O4.C18H16Cl2N6O4.C17H16Cl2N6O4.C17H14Cl2N6O3/c1-13(2)23-20-11-17(6-7-21(20)27-28-23)10-19-14(3)8-18(9-15(19)4)30-24(31)26-16(5)22(12-25)29-30;1-12(2)19-11-24-21-20(19)27-16(10-23-21)8-18-13(3)6-17(7-14(18)4)28-22(29)26-15(5)9-25-28;1-8(10-6-20(23,24)7-10)12-5-15(27-28-18(12)31)33-16-13(21)3-11(4-14(16)22)30-19(32)26-9(2)17(25)29-30;2*1-8(10-6-20(23,24)7-10)12(18(27)31)5-15(25)33-16-13(21)3-11(4-14(16)22)30-19(32)28-9(2)17(26)29-30;2*1-10-18(23)27-28(20(30)24-10)12-7-14(21)17(15(22)8-12)31-16-9-13(19(29)26-25-16)11-5-3-2-4-6-11;1-10-18(23)27-28(20(30)24-10)12-7-14(21)17(15(22)8-12)31-19-13(9-16(29)25-26-19)11-5-3-2-4-6-11;1-9-17(22)26-27(19(29)23-9)11-6-13(20)16(14(21)7-11)31-15-8-12(18(28)25-24-15)10-2-4-30-5-3-10;1-8-16(21)25-26(18(28)22-8)10-4-12(19)15(13(20)5-10)30-14-6-11(17(27)24-23-14)9-2-3-29-7-9;1-7-14(20)24-25(16(27)21-7)8-4-10(18)13(11(19)5-8)29-12-6-9(17(2,3)28)15(26)23-22-12;1-7(2)10-6-13(22-23-16(10)26)28-14-11(18)4-9(5-12(14)19)25-17(27)21-8(3)15(20)24-25/h6-9,11,13H,5,10H2,1-4H3,(H,26,31)(H,27,28);6-7,9-12H,5,8H2,1-4H3,(H,23,24)(H,26,29);3-5,8,10H,2,6-7H2,1H3,(H2,25,29)(H,26,32)(H,28,31);2*3-5,8,10,25H,2,6-7H2,1H3,(H2,26,29)(H2,27,31)(H,28,32);7-9,11H,1-6H2,(H2,23,27)(H,24,30)(H,26,29);2-9H,1H2,(H2,23,27)(H,24,30)(H,26,29);2-9H,1H2,(H2,23,27)(H,24,30)(H,25,29);6-8,10H,1-5H2,(H2,22,26)(H,23,29)(H,25,28);4-6,9H,1-3,7H2,(H2,21,25)(H,22,28)(H,24,27);4-6,28H,1H2,2-3H3,(H2,20,24)(H,21,27)(H,23,26);4-6H,1,3H2,2H3,(H2,20,24)(H,21,27)(H,23,26)/b;;;2*12-5-,25-15+;;;;;;;/t;;;2*8-;;;;;;;/m...10......./s1
• InChIKey: ACVFUHAQVLPSSQ-LPGZFCTNSA-N
• XLogP: 44.32
• TPSA: 1521.51 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 71
• Rotatable Bonds: 53
• Heavy Atoms: 370
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5457.87
LogP ≤ 5	44.32
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	71

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The IUPAC name of 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one (CID 163413985) is 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one.

What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one is C=C1C=NN(c2cc(C)c(Cc3cnc4[nH]cc(C(C)C)c4n3)c(C)c2)C(=O)N1.C=C1NC(=O)N(c2cc(C)c(Cc3ccc4n[nH]c(C(C)C)c4c3)c(C)c2)N=C1C#N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(-c4ccccc4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(=C)C)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)(C)O)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C(C)C4CC(F)(F)C4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCCCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCOC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3cc(C4CCOCC4)c(=O)[nH]n3)c(Cl)c2)N=C1N.C=C1NC(=O)N(c2cc(Cl)c(Oc3n[nH]c(=O)cc3-c3ccccc3)c(Cl)c2)N=C1N.[H]/N=C(\C=C(/C(N)=O)[C@@H](C)C1CC(F)(F)C1)Oc1c(Cl)cc(N2N=C(N)C(=C)NC2=O)cc1Cl.[H]/N=C(\C=C(/C(N)=O)[C@H](C)C1CC(F)(F)C1)Oc1c(Cl)cc(N2N=C(N)C(=C)NC2=O)cc1Cl.

What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one?

The InChIKey is ACVFUHAQVLPSSQ-LPGZFCTNSA-N. The full InChI is InChI=1S/C24H24N6O.C22H24N6O.C20H18Cl2F2N6O3.2C20H20Cl2F2N6O3.C20H20Cl2N6O3.2C20H14Cl2N6O3.C19H18Cl2N6O4.C18H16Cl2N6O4.C17H16Cl2N6O4.C17H14Cl2N6O3/c1-13(2)23-20-11-17(6-7-21(20)27-28-23)10-19-14(3)8-18(9-15(19)4)30-24(31)26-16(5)22(12-25)29-30;1-12(2)19-11-24-21-20(19)27-16(10-23-21)8-18-13(3)6-17(7-14(18)4)28-22(29)26-15(5)9-25-28;1-8(10-6-20(23,24)7-10)12-5-15(27-28-18(12)31)33-16-13(21)3-11(4-14(16)22)30-19(32)26-9(2)17(25)29-30;2*1-8(10-6-20(23,24)7-10)12(18(27)31)5-15(25)33-16-13(21)3-11(4-14(16)22)30-19(32)28-9(2)17(26)29-30;2*1-10-18(23)27-28(20(30)24-10)12-7-14(21)17(15(22)8-12)31-16-9-13(19(29)26-25-16)11-5-3-2-4-6-11;1-10-18(23)27-28(20(30)24-10)12-7-14(21)17(15(22)8-12)31-19-13(9-16(29)25-26-19)11-5-3-2-4-6-11;1-9-17(22)26-27(19(29)23-9)11-6-13(20)16(14(21)7-11)31-15-8-12(18(28)25-24-15)10-2-4-30-5-3-10;1-8-16(21)25-26(18(28)22-8)10-4-12(19)15(13(20)5-10)30-14-6-11(17(27)24-23-14)9-2-3-29-7-9;1-7-14(20)24-25(16(27)21-7)8-4-10(18)13(11(19)5-8)29-12-6-9(17(2,3)28)15(26)23-22-12;1-7(2)10-6-13(22-23-16(10)26)28-14-11(18)4-9(5-12(14)19)25-17(27)21-8(3)15(20)24-25/h6-9,11,13H,5,10H2,1-4H3,(H,26,31)(H,27,28);6-7,9-12H,5,8H2,1-4H3,(H,23,24)(H,26,29);3-5,8,10H,2,6-7H2,1H3,(H2,25,29)(H,26,32)(H,28,31);2*3-5,8,10,25H,2,6-7H2,1H3,(H2,26,29)(H2,27,31)(H,28,32);7-9,11H,1-6H2,(H2,23,27)(H,24,30)(H,26,29);2-9H,1H2,(H2,23,27)(H,24,30)(H,26,29);2-9H,1H2,(H2,23,27)(H,24,30)(H,25,29);6-8,10H,1-5H2,(H2,22,26)(H,23,29)(H,25,28);4-6,9H,1-3,7H2,(H2,21,25)(H,22,28)(H,24,27);4-6,28H,1H2,2-3H3,(H2,20,24)(H,21,27)(H,23,26);4-6H,1,3H2,2H3,(H2,20,24)(H,21,27)(H,23,26)/b;;;2*12-5-,25-15+;;;;;;;/t;;;2*8-;;;;;;;/m...10......./s1.

What are the key properties of 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one?

6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one has a molecular weight of 5457.87 g/mol, XLogP of 44.32, 53 rotatable bonds, 37 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-2-[3,5-dichloro-4-[(5-cyclohexyl-6-oxo-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-[1-(3,3-difluorocyclobutyl)ethyl]-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[5-(oxan-4-yl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[[6-oxo-5-(oxolan-3-yl)-1H-pyridazin-3-yl]oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-4-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-phenyl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;6-amino-2-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-5-methylidene-1,2,4-triazin-3-one;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4S)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;[4-(6-amino-5-methylidene-3-oxo-1,2,4-triazin-2-yl)-2,6-dichlorophenyl] (Z,4R)-3-carbamoyl-4-(3,3-difluorocyclobutyl)pent-2-enimidate;2-[3,5-dimethyl-4-[(3-propan-2-yl-2H-indazol-5-yl)methyl]phenyl]-5-methylidene-3-oxo-1,2,4-triazine-6-carbonitrile;2-[3,5-dimethyl-4-[(7-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-2-yl)methyl]phenyl]-5-methylidene-1,2,4-triazin-3-one is sourced from PubChem (CID 163413985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).