5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid

C244H318BBr2N29O50 — CID 167599680

IUPAC5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)COCCOCCOCCO.CC(C)(C)OC(=O)COCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.CC(C)(C)OC(=O)COCCOCCOCCOc1ccc(Br)cn1.CC(C)(C)OC(=O)n1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.C[C@@H](C(=O)NC(C(=O)N1C[C@@H](N)C[C@H]1C(=O)C[C@@H]1CCCc2ccccc21)C1CCCCC1)N(C)C(=O)OC(C)(C)C.O=C(O)COCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.O=c1ccc(Br)c[nH]1
InChIInChI=1S/C52H65N7O8.C51H64N8O8.C33H50N4O5.C28H33N3O6.C24H25N3O6.C22H27BN2O4.C17H26BrNO6.C12H24O6.C5H4BrNO/c1-3-34(2)50(61)58-49(36-11-5-4-6-12-36)52(63)59-32-39(29-46(59)51(62)57-43-15-9-13-35-10-7-8-14-40(35)43)55-47(60)33-66-25-24-64-22-23-65-26-27-67-48-19-17-38(30-54-48)37-16-18-41-42-31-53-21-20-44(42)56-45(41)28-37;1-33(52-2)49(61)58-48(35-10-4-3-5-11-35)51(63)59-31-38(28-45(59)50(62)57-42-14-8-12-34-9-6-7-13-39(34)42)55-46(60)32-66-24-23-64-21-22-65-25-26-67-47-18-16-37(29-54-47)36-15-17-40-41-30-53-20-19-43(41)56-44(40)27-36;1-21(36(5)32(41)42-33(2,3)4)30(39)35-29(23-13-7-6-8-14-23)31(40)37-20-25(34)19-27(37)28(38)18-24-16-11-15-22-12-9-10-17-26(22)24;1-28(2,3)37-27(32)19-35-13-12-33-10-11-34-14-15-36-26-7-5-21(17-30-26)20-4-6-22-23-18-29-9-8-24(23)31-25(22)16-20;28-24(29)16-32-10-9-30-7-8-31-11-12-33-23-4-2-18(14-26-23)17-1-3-19-20-15-25-6-5-21(20)27-22(19)13-17;1-20(2,3)27-19(26)25-17-10-11-24-13-16(17)15-9-8-14(12-18(15)25)23-28-21(4,5)22(6,7)29-23;1-17(2,3)25-16(20)13-23-9-8-21-6-7-22-10-11-24-15-5-4-14(18)12-19-15;1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13;6-4-1-2-5(8)7-3-4/h7-8,10,14,16-21,28,30-31,34,36,39,43,46,49,56H,3-6,9,11-13,15,22-27,29,32-33H2,1-2H3,(H,55,60)(H,57,62)(H,58,61);6-7,9,13,15-20,27,29-30,33,35,38,42,45,48,52,56H,3-5,8,10-12,14,21-26,28,31-32H2,1-2H3,(H,55,60)(H,57,62)(H,58,61);9-10,12,17,21,23-25,27,29H,6-8,11,13-16,18-20,34H2,1-5H3,(H,35,39);4-9,16-18,31H,10-15,19H2,1-3H3;1-6,13-15,27H,7-12,16H2,(H,28,29);8-13H,1-7H3;4-5,12H,6-11,13H2,1-3H3;13H,4-10H2,1-3H3;1-3H,(H,7,8)/t34-,39+,43-,46+,49+;33-,38-,42+,45-,48-;21-,24-,25-,27-,29?;;;;;;/m100....../s1
InChIKeyJOBJFHSEMAQPBV-ZJMJUVJISA-N
MW4628.00 g/mol
LogP32.30
Rot. Bonds99

About 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid

5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 167599680) has the molecular formula C244H318BBr2N29O50 and a molecular weight of 4628.00 g/mol. Its IUPAC name is 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID167599680
Molecular FormulaC244H318BBr2N29O50
Molecular Weight4628.00 g/mol
Exact Mass4623.17
IUPAC Name5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)COCCOCCOCCO.CC(C)(C)OC(=O)COCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.CC(C)(C)OC(=O)COCCOCCOCCOc1ccc(Br)cn1.CC(C)(C)OC(=O)n1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.C[C@@H](C(=O)NC(C(=O)N1C[C@@H](N)C[C@H]1C(=O)C[C@@H]1CCCc2ccccc21)C1CCCCC1)N(C)C(=O)OC(C)(C)C.O=C(O)COCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.O=c1ccc(Br)c[nH]1
InChIInChI=1S/C52H65N7O8.C51H64N8O8.C33H50N4O5.C28H33N3O6.C24H25N3O6.C22H27BN2O4.C17H26BrNO6.C12H24O6.C5H4BrNO/c1-3-34(2)50(61)58-49(36-11-5-4-6-12-36)52(63)59-32-39(29-46(59)51(62)57-43-15-9-13-35-10-7-8-14-40(35)43)55-47(60)33-66-25-24-64-22-23-65-26-27-67-48-19-17-38(30-54-48)37-16-18-41-42-31-53-21-20-44(42)56-45(41)28-37;1-33(52-2)49(61)58-48(35-10-4-3-5-11-35)51(63)59-31-38(28-45(59)50(62)57-42-14-8-12-34-9-6-7-13-39(34)42)55-46(60)32-66-24-23-64-21-22-65-25-26-67-47-18-16-37(29-54-47)36-15-17-40-41-30-53-20-19-43(41)56-44(40)27-36;1-21(36(5)32(41)42-33(2,3)4)30(39)35-29(23-13-7-6-8-14-23)31(40)37-20-25(34)19-27(37)28(38)18-24-16-11-15-22-12-9-10-17-26(22)24;1-28(2,3)37-27(32)19-35-13-12-33-10-11-34-14-15-36-26-7-5-21(17-30-26)20-4-6-22-23-18-29-9-8-24(23)31-25(22)16-20;28-24(29)16-32-10-9-30-7-8-31-11-12-33-23-4-2-18(14-26-23)17-1-3-19-20-15-25-6-5-21(20)27-22(19)13-17;1-20(2,3)27-19(26)25-17-10-11-24-13-16(17)15-9-8-14(12-18(15)25)23-28-21(4,5)22(6,7)29-23;1-17(2,3)25-16(20)13-23-9-8-21-6-7-22-10-11-24-15-5-4-14(18)12-19-15;1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13;6-4-1-2-5(8)7-3-4/h7-8,10,14,16-21,28,30-31,34,36,39,43,46,49,56H,3-6,9,11-13,15,22-27,29,32-33H2,1-2H3,(H,55,60)(H,57,62)(H,58,61);6-7,9,13,15-20,27,29-30,33,35,38,42,45,48,52,56H,3-5,8,10-12,14,21-26,28,31-32H2,1-2H3,(H,55,60)(H,57,62)(H,58,61);9-10,12,17,21,23-25,27,29H,6-8,11,13-16,18-20,34H2,1-5H3,(H,35,39);4-9,16-18,31H,10-15,19H2,1-3H3;1-6,13-15,27H,7-12,16H2,(H,28,29);8-13H,1-7H3;4-5,12H,6-11,13H2,1-3H3;13H,4-10H2,1-3H3;1-3H,(H,7,8)/t34-,39+,43-,46+,49+;33-,38-,42+,45-,48-;21-,24-,25-,27-,29?;;;;;;/m100....../s1
InChIKeyJOBJFHSEMAQPBV-ZJMJUVJISA-N
XLogP32.30
TPSA972.62 Ų
H-Bond Donors16
H-Bond Acceptors62
Rotatable Bonds99
Heavy Atoms326
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004628.00
LogP ≤ 532.30
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1062

Analyze 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid with MolForge

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What is the IUPAC name of 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 167599680) is 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)COCCOCCOCCO.CC(C)(C)OC(=O)COCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.CC(C)(C)OC(=O)COCCOCCOCCOc1ccc(Br)cn1.CC(C)(C)OC(=O)n1c2ccncc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CC[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)COCCOCCOCCOc2ccc(-c3ccc4c(c3)[nH]c3ccncc34)cn2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1.C[C@@H](C(=O)NC(C(=O)N1C[C@@H](N)C[C@H]1C(=O)C[C@@H]1CCCc2ccccc21)C1CCCCC1)N(C)C(=O)OC(C)(C)C.O=C(O)COCCOCCOCCOc1ccc(-c2ccc3c(c2)[nH]c2ccncc23)cn1.O=c1ccc(Br)c[nH]1.
What is the InChIKey of 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is JOBJFHSEMAQPBV-ZJMJUVJISA-N. The full InChI is InChI=1S/C52H65N7O8.C51H64N8O8.C33H50N4O5.C28H33N3O6.C24H25N3O6.C22H27BN2O4.C17H26BrNO6.C12H24O6.C5H4BrNO/c1-3-34(2)50(61)58-49(36-11-5-4-6-12-36)52(63)59-32-39(29-46(59)51(62)57-43-15-9-13-35-10-7-8-14-40(35)43)55-47(60)33-66-25-24-64-22-23-65-26-27-67-48-19-17-38(30-54-48)37-16-18-41-42-31-53-21-20-44(42)56-45(41)28-37;1-33(52-2)49(61)58-48(35-10-4-3-5-11-35)51(63)59-31-38(28-45(59)50(62)57-42-14-8-12-34-9-6-7-13-39(34)42)55-46(60)32-66-24-23-64-21-22-65-25-26-67-47-18-16-37(29-54-47)36-15-17-40-41-30-53-20-19-43(41)56-44(40)27-36;1-21(36(5)32(41)42-33(2,3)4)30(39)35-29(23-13-7-6-8-14-23)31(40)37-20-25(34)19-27(37)28(38)18-24-16-11-15-22-12-9-10-17-26(22)24;1-28(2,3)37-27(32)19-35-13-12-33-10-11-34-14-15-36-26-7-5-21(17-30-26)20-4-6-22-23-18-29-9-8-24(23)31-25(22)16-20;28-24(29)16-32-10-9-30-7-8-31-11-12-33-23-4-2-18(14-26-23)17-1-3-19-20-15-25-6-5-21(20)27-22(19)13-17;1-20(2,3)27-19(26)25-17-10-11-24-13-16(17)15-9-8-14(12-18(15)25)23-28-21(4,5)22(6,7)29-23;1-17(2,3)25-16(20)13-23-9-8-21-6-7-22-10-11-24-15-5-4-14(18)12-19-15;1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13;6-4-1-2-5(8)7-3-4/h7-8,10,14,16-21,28,30-31,34,36,39,43,46,49,56H,3-6,9,11-13,15,22-27,29,32-33H2,1-2H3,(H,55,60)(H,57,62)(H,58,61);6-7,9,13,15-20,27,29-30,33,35,38,42,45,48,52,56H,3-5,8,10-12,14,21-26,28,31-32H2,1-2H3,(H,55,60)(H,57,62)(H,58,61);9-10,12,17,21,23-25,27,29H,6-8,11,13-16,18-20,34H2,1-5H3,(H,35,39);4-9,16-18,31H,10-15,19H2,1-3H3;1-6,13-15,27H,7-12,16H2,(H,28,29);8-13H,1-7H3;4-5,12H,6-11,13H2,1-3H3;13H,4-10H2,1-3H3;1-3H,(H,7,8)/t34-,39+,43-,46+,49+;33-,38-,42+,45-,48-;21-,24-,25-,27-,29?;;;;;;/m100....../s1.
What are the key properties of 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid?
5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 4628.00 g/mol, XLogP of 32.30, 99 rotatable bonds, 16 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1H-pyridin-2-one;tert-butyl N-[(2S)-1-[[2-[(2S,4S)-4-amino-2-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;tert-butyl 2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate;tert-butyl 2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetate;tert-butyl 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[4,3-b]indole-5-carboxylate;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;(2S,4S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-4-[[2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide;2-[2-[2-[2-[[5-(5H-pyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 167599680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).