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A1EPF
A1EPF
Name:~{N}-[1-methyl-3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-5-yl]indol-6-yl]propanamide
Formula:C29 H31 N7 O2
SMILES:CCC(=O)Nc1ccc2c(c1)n(C)cc2c3cccc4ncc(nc34)c5cnn(CCN6CCOCC6)c5
InChi:InChI=1S/C29H31N7O2/c1-3-28(37)32-21-7-8-22-24(19-34(2)27(22)15-21)23-5-4-6-25-29(23)33-26(17-30-25)20-16-31-36(18-20)10-9-35-11-13-38-14-12-35/h4-8,15-19H,3,9-14H2,1-2H3,(H,32,37)
Definition date:2025-04-18
Last modified:2025-09-19
Release date:2025-09-24
Identifier:~{N}-[1-methyl-3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]quinoxalin-5-yl]indol-6-yl]propanamide
A1EQ8
A1EQ8
Name:icosan-1-ol
Formula:C20 H42 O
SMILES:CCCCCCCCCCCCCCCCCCCCO
InChi:InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
Definition date:2025-06-04
Last modified:2025-09-19
Release date:2025-09-24
Identifier:icosan-1-ol
A1CTD
A1CTD
Name:(3P)-6-(1-methylpiperidin-4-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
Formula:C25 H24 N4
SMILES:CN1CCC(CC1)c1nnc(c2cc3ccccc3cc2)c(c1)c1ccncc1
InChi:InChI=1S/C25H24N4/c1-29-14-10-20(11-15-29)24-17-23(19-8-12-26-13-9-19)25(28-27-24)22-7-6-18-4-2-3-5-21(18)16-22/h2-9,12-13,16-17,20H,10-11,14-15H2,1H3
Definition date:2025-09-12
Last modified:2025-09-19
Release date:2025-09-24
Identifier:(3P)-6-(1-methylpiperidin-4-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
A1D6Z
A1D6Z
Name:methyl 3-[4-[3-[[3-[(1-ethylsulfonylpiperidin-4-yl)carbamoyl]-1~{H}-pyrazol-4-yl]carbamoyl]-2,4-bis(fluoranyl)phenyl]piperidin-1-yl]-3-oxidanylidene-propanoate
Formula:C27 H34 F2 N6 O7 S
SMILES:CC[S](=O)(=O)N1CCC(CC1)NC(=O)c2n[nH]cc2NC(=O)c3c(F)ccc(C4CCN(CC4)C(=O)CC(=O)OC)c3F
InChi:InChI=1S/C27H34F2N6O7S/c1-3-43(40,41)35-12-8-17(9-13-35)31-27(39)25-20(15-30-33-25)32-26(38)23-19(28)5-4-18(24(23)29)16-6-10-34(11-7-16)21(36)14-22(37)42-2/h4-5,15-17H,3,6-14H2,1-2H3,(H,30,33)(H,31,39)(H,32,38)
Definition date:2024-03-22
Last modified:2025-09-19
Release date:2025-09-24
Identifier:methyl 3-[4-[3-[[3-[(1-ethylsulfonylpiperidin-4-yl)carbamoyl]-1~{H}-pyrazol-4-yl]carbamoyl]-2,4-bis(fluoranyl)phenyl]piperidin-1-yl]-3-oxidanylidene-propanoate
A1I88
A1I88
Name:5-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methylamino]-3-fluoranyl-1-(2-hydroxyethyl)-6~{H}-pyrazolo[4,3-d]pyrimidin-7-one
Formula:C15 H12 F3 N5 O4
SMILES:OCCn1nc(F)c2N=C(NCc3ccc4OC(F)(F)Oc4c3)NC(=O)c12
InChi:InChI=1S/C15H12F3N5O4/c16-12-10-11(23(22-12)3-4-24)13(25)21-14(20-10)19-6-7-1-2-8-9(5-7)27-15(17,18)26-8/h1-2,5,24H,3-4,6H2,(H2,19,20,21,25)
Definition date:2025-03-28
Last modified:2025-09-19
Release date:2025-09-24
Identifier:5-[[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]methylamino]-3-fluoranyl-1-(2-hydroxyethyl)-6~{H}-pyrazolo[4,3-d]pyrimidin-7-one
A1JA0
A1JA0
Name:4-[6-methoxy-5-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzothiophen-5-yl]sulfanylmethylsulfanyl]-1-benzothiophen-2-yl]-4-oxidanylidene-butanoic acid
Formula:C27 H24 O8 S4
SMILES:COc1cc2sc(cc2cc1SCSc3cc4cc(sc4cc3OC)C(=O)CCC(O)=O)C(=O)CCC(O)=O
InChi:InChI=1S/C27H24O8S4/c1-34-18-11-20-14(7-22(38-20)16(28)3-5-26(30)31)9-24(18)36-13-37-25-10-15-8-23(17(29)4-6-27(32)33)39-21(15)12-19(25)35-2/h7-12H,3-6,13H2,1-2H3,(H,30,31)(H,32,33)
Definition date:2025-04-14
Last modified:2025-09-19
Release date:2025-09-24
Identifier:4-[6-methoxy-5-[[6-methoxy-2-(4-oxidanyl-4-oxidanylidene-butanoyl)-1-benzothiophen-5-yl]sulfanylmethylsulfanyl]-1-benzothiophen-2-yl]-4-oxidanylidene-butanoic acid
A1JD4
A1JD4
Name:(3~{S})-13-[(1~{S})-1-(2-methylquinolin-7-yl)ethoxy]-11-oxidanyl-5-oxa-1,8-diazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-9,12-dione
Formula:C23 H23 N3 O5
SMILES:C[CH](OC1=CN2C[CH]3COCCN3C(=O)C2=C(O)C1=O)c4ccc5ccc(C)nc5c4
InChi:InChI=1S/C23H23N3O5/c1-13-3-4-15-5-6-16(9-18(15)24-13)14(2)31-19-11-25-10-17-12-30-8-7-26(17)23(29)20(25)22(28)21(19)27/h3-6,9,11,14,17,28H,7-8,10,12H2,1-2H3/t14-,17-/m0/s1
Definition date:2025-05-29
Last modified:2025-09-19
Release date:2025-09-24
Identifier:(3~{S})-13-[(1~{S})-1-(2-methylquinolin-7-yl)ethoxy]-11-oxidanyl-5-oxa-1,8-diazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-diene-9,12-dione
A1JED
A1JED
Name:2-methyl-9-oxidanyl-6-(phenylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
Formula:C15 H15 N3 O3
SMILES:CN1CCN2C(=NC(=O)C(=C2C1=O)O)Cc3ccccc3
InChi:InChI=1S/C15H15N3O3/c1-17-7-8-18-11(9-10-5-3-2-4-6-10)16-14(20)13(19)12(18)15(17)21/h2-6,19H,7-9H2,1H3
Definition date:2025-06-03
Last modified:2025-09-19
Release date:2025-09-24
Identifier:2-methyl-9-oxidanyl-6-(phenylmethyl)-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
A1JFJ
A1JFJ
Name:2-[(2~{E})-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-6-methyl-1~{H}-pyrimidin-4-one
Formula:C13 H15 N5 O
SMILES:CC1=CC(=O)N=C(NN=C(C)c2ccc(N)cc2)N1
InChi:InChI=1S/C13H15N5O/c1-8-7-12(19)16-13(15-8)18-17-9(2)10-3-5-11(14)6-4-10/h3-7H,14H2,1-2H3,(H2,15,16,18,19)/b17-9+
Definition date:2025-06-04
Last modified:2025-09-19
Release date:2025-09-24
Identifier:2-[(2~{E})-2-[1-(4-aminophenyl)ethylidene]hydrazinyl]-6-methyl-1~{H}-pyrimidin-4-one
A1JI6
A1JI6
Name:[(2~{E},6~{E},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]sulfanyl-phosphonooxy-phosphinic acid
Formula:C25 H44 O6 P2 S
SMILES:CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O
InChi:InChI=1S/C25H44O6P2S/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-34-33(29,30)31-32(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)/b22-13+,23-15+,24-17+,25-19+
Definition date:2025-06-30
Last modified:2025-09-19
Release date:2025-09-24
Identifier:[(2~{E},6~{E},10~{E},14~{E})-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]sulfanyl-phosphonooxy-phosphinic acid
A1LZR
A1LZR
Name:2-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]ethanoic acid
Formula:C20 H17 Br O5
SMILES:Cc1c(OCc2cccc(Br)c2)ccc3C(=C(CC(O)=O)C(=O)Oc13)C
InChi:InChI=1S/C20H17BrO5/c1-11-15-6-7-17(25-10-13-4-3-5-14(21)8-13)12(2)19(15)26-20(24)16(11)9-18(22)23/h3-8H,9-10H2,1-2H3,(H,22,23)
Definition date:2024-03-28
Last modified:2025-09-19
Release date:2025-09-24
Identifier:2-[7-[(3-bromophenyl)methoxy]-4,8-dimethyl-2-oxidanylidene-chromen-3-yl]ethanoic acid
A1B1V
A1B1V
Name:(R)-N-(4-amino-4'-fluoro-[1,1'-biphenyl]-3-yl)-4-(S-methylsulfonimidoyl)benzamide
Formula:C20 H18 F N3 O2 S
SMILES:O=S(C)(=N)c1ccc(cc1)C(=O)Nc1cc(ccc1N)c1ccc(F)cc1
InChi:InChI=1S/C20H18FN3O2S/c1-27(23,26)17-9-4-14(5-10-17)20(25)24-19-12-15(6-11-18(19)22)13-2-7-16(21)8-3-13/h2-12,23H,22H2,1H3,(H,24,25)/t27-/m1/s1
Definition date:2025-03-20
Last modified:2025-09-12
Release date:2025-09-17
Identifier:N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-4-[(R)-S-methanesulfonimidoyl]benzamide
A1A5U
A1A5U
Name:4-[2-(4-methylphenyl)-5-{[(3R)-pyrrolidin-3-yl]methoxy}pyridin-3-yl]benzonitrile
Formula:C24 H23 N3 O
SMILES:N#Cc1ccc(cc1)c1cc(cnc1c1ccc(C)cc1)OCC1CCNC1
InChi:InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m1/s1
Definition date:2024-09-10
Last modified:2025-09-12
Release date:2025-09-17
Identifier:4-[2-(4-methylphenyl)-5-{[(3R)-pyrrolidin-3-yl]methoxy}pyridin-3-yl]benzonitrile
A1A6F
A1A6F
Name:(8R)-3-(1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine
Formula:C13 H8 N4 S
SMILES:c1cccc2sc(nc12)c1cnn2cccnc21
InChi:InChI=1S/C13H8N4S/c1-2-5-11-10(4-1)16-13(18-11)9-8-15-17-7-3-6-14-12(9)17/h1-8H
Definition date:2024-09-12
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(8R)-3-(1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine
A1A6R
A1A6R
Name:2-chloro-7-{(4xi)-2-deoxy-4-ethynyl-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C13 H16 Cl N4 O12 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC1(C#C)OC(CC1O)n1ccc2c(N)nc(Cl)nc21
InChi:InChI=1S/C13H16ClN4O12P3/c1-2-13(6-27-32(23,24)30-33(25,26)29-31(20,21)22)8(19)5-9(28-13)18-4-3-7-10(15)16-12(14)17-11(7)18/h1,3-4,8-9,19H,5-6H2,(H,23,24)(H,25,26)(H2,15,16,17)(H2,20,21,22)/t8-,9+,13+/m0/s1
Definition date:2024-09-16
Last modified:2025-09-12
Release date:2025-09-17
Identifier:2-chloro-7-{(4xi)-2-deoxy-4-ethynyl-5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine
A1ETD
A1ETD
Name:(2S)-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one
Formula:C22 H28 Cl2 N4 O2
SMILES:CCCC[C]1(Cc2cc(OCCCc3[nH]nnn3)c(Cl)c(Cl)c2C1=O)C4CCCC4
InChi:InChI=1S/C22H28Cl2N4O2/c1-2-3-10-22(15-7-4-5-8-15)13-14-12-16(19(23)20(24)18(14)21(22)29)30-11-6-9-17-25-27-28-26-17/h12,15H,2-11,13H2,1H3,(H,25,26,27,28)/t22-/m0/s1
Definition date:2025-07-10
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(2~{S})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-5-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)propoxy]-3~{H}-inden-1-one
A1ETE
A1ETE
Name:(2S)-2-butyl-2-cyclohexyl-6,7-bis(fluoranyl)-5-[3-(1H-1,2,3,4-tetrazol-5-yl)propoxy]-3H-inden-1-one
Formula:C23 H30 F2 N4 O2
SMILES:CCCC[C]1(Cc2cc(OCCCc3[nH]nnn3)c(F)c(F)c2C1=O)C4CCCCC4
InChi:InChI=1S/C23H30F2N4O2/c1-2-3-11-23(16-8-5-4-6-9-16)14-15-13-17(20(24)21(25)19(15)22(23)30)31-12-7-10-18-26-28-29-27-18/h13,16H,2-12,14H2,1H3,(H,26,27,28,29)/t23-/m0/s1
Definition date:2025-07-10
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(2~{S})-2-butyl-2-cyclohexyl-6,7-bis(fluoranyl)-5-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)propoxy]-3~{H}-inden-1-one
A1CEQ
A1CEQ
Name:(2P)-N-[5-(cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-2-[2-(difluoromethyl)-5-methoxypyridin-4-yl]-4-[(4-hydroxyoxan-4-yl)ethynyl]benzamide
Formula:C28 H24 F2 N4 O4 S
SMILES:O=C(Nc1nnc(C#CC2CC2)s1)c1ccc(C#CC2(O)CCOCC2)cc1c1cc(ncc1OC)C(F)F
InChi:InChI=1S/C28H24F2N4O4S/c1-37-23-16-31-22(25(29)30)15-21(23)20-14-18(8-9-28(36)10-12-38-13-11-28)4-6-19(20)26(35)32-27-34-33-24(39-27)7-5-17-2-3-17/h4,6,14-17,25,36H,2-3,10-13H2,1H3,(H,32,34,35)
Definition date:2025-05-30
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(2P)-N-[5-(cyclopropylethynyl)-1,3,4-thiadiazol-2-yl]-2-[2-(difluoromethyl)-5-methoxypyridin-4-yl]-4-[(4-hydroxyoxan-4-yl)ethynyl]benzamide
A1CER
A1CER
Name:(3M)-2'-chloro-N-{5-[(1S,2S)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl}-5'-methoxy[3,4'-bipyridine]-4-carboxamide
Formula:C24 H17 Cl N6 O2 S
SMILES:O=C(Nc1nnc(s1)C1CC1c1ccc(C#N)cc1)c1ccncc1c1cc(Cl)ncc1OC
InChi:InChI=1S/C24H17ClN6O2S/c1-33-20-12-28-21(25)9-17(20)19-11-27-7-6-15(19)22(32)29-24-31-30-23(34-24)18-8-16(18)14-4-2-13(10-26)3-5-14/h2-7,9,11-12,16,18H,8H2,1H3,(H,29,31,32)/t16-,18+/m1/s1
Definition date:2025-05-30
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(3M)-2'-chloro-N-{5-[(1S,2S)-2-(4-cyanophenyl)cyclopropyl]-1,3,4-thiadiazol-2-yl}-5'-methoxy[3,4'-bipyridine]-4-carboxamide
A1CIW
A1CIW
Name:darifenacin
Formula:C28 H30 N2 O2
SMILES:NC(=O)C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1cc2CCOc2cc1
InChi:InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1
Synonyms:2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide
Definition date:2025-07-18
Last modified:2025-09-12
Release date:2025-09-17
Identifier:2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide
A1CJ8
A1CJ8
Name:(3S)-3-(pyridin-3-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:C15 H13 N5 O3
SMILES:O=C(O)CC(NC(=O)c1ncnc2[NH]ccc12)c1cccnc1
InChi:InChI=1S/C15H13N5O3/c21-12(22)6-11(9-2-1-4-16-7-9)20-15(23)13-10-3-5-17-14(10)19-8-18-13/h1-5,7-8,11H,6H2,(H,20,23)(H,21,22)(H,17,18,19)/t11-/m0/s1
Definition date:2025-07-24
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(3S)-3-(pyridin-3-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
A1CJB
A1CJB
Name:(3S)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:C16 H13 Br N4 O3
SMILES:Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12
InChi:InChI=1S/C16H13BrN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1
Definition date:2025-07-23
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(3S)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
A1CJE
A1CJE
Name:(3R)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:C17 H15 Br N4 O3
SMILES:Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cc(C)c12
InChi:InChI=1S/C17H15BrN4O3/c1-9-7-19-16-14(9)15(20-8-21-16)17(25)22-12(6-13(23)24)10-2-4-11(18)5-3-10/h2-5,7-8,12H,6H2,1H3,(H,22,25)(H,23,24)(H,19,20,21)/t12-/m1/s1
Definition date:2025-07-24
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(3R)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
A1CJF
A1CJF
Name:(3S)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:C17 H15 Br N4 O3
SMILES:Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cc(C)c12
InChi:InChI=1S/C17H15BrN4O3/c1-9-7-19-16-14(9)15(20-8-21-16)17(25)22-12(6-13(23)24)10-2-4-11(18)5-3-10/h2-5,7-8,12H,6H2,1H3,(H,22,25)(H,23,24)(H,19,20,21)/t12-/m0/s1
Definition date:2025-07-24
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(3S)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
A1CJR
A1CJR
Name:(3S)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid
Formula:C15 H12 Br N5 O3
SMILES:Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cnc12
InChi:InChI=1S/C15H12BrN5O3/c16-9-3-1-8(2-4-9)10(5-11(22)23)21-15(24)13-12-14(19-6-17-12)20-7-18-13/h1-4,6-7,10H,5H2,(H,21,24)(H,22,23)(H,17,18,19,20)/t10-/m0/s1
Definition date:2025-07-24
Last modified:2025-09-12
Release date:2025-09-17
Identifier:(3S)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid

245663

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