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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

4NQ

4NQ
Name:	3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan
Formula:	C18 H25 N O
SMILES:	COc1ccc2CC3C4CCCCC4(CCN3C)c2c1
InChi:	InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m1/s1
Definition date:	2015-04-21
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	3-methoxy-17-methyl-9alpha,13alpha,14alpha-morphinan

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

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

A1CJS

A1CJS
Name:	(3R)-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-/m1/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3R)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid

A1CJV

A1CJV
Name:	(3R)-3-(4-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:	C16 H14 N4 O4
SMILES:	Oc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C16H14N4O4/c21-10-3-1-9(2-4-10)12(7-13(22)23)20-16(24)14-11-5-6-17-15(11)19-8-18-14/h1-6,8,12,21H,7H2,(H,20,24)(H,22,23)(H,17,18,19)/t12-/m1/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3R)-3-(4-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid

A1CJY

A1CJY
Name:	(2S,3R)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:	C17 H16 N4 O3
SMILES:	O=C(O)C(C)C(NC(=O)c1ncnc2[NH]ccc12)c1ccccc1
InChi:	InChI=1S/C17H16N4O3/c1-10(17(23)24)13(11-5-3-2-4-6-11)21-16(22)14-12-7-8-18-15(12)20-9-19-14/h2-10,13H,1H3,(H,21,22)(H,23,24)(H,18,19,20)/t10-,13+/m0/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(2S,3R)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid

A1CJZ

A1CJZ
Name:	(3R)-3-(3-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:	C17 H16 N4 O3
SMILES:	Cc1cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C17H16N4O3/c1-10-3-2-4-11(7-10)13(8-14(22)23)21-17(24)15-12-5-6-18-16(12)20-9-19-15/h2-7,9,13H,8H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t13-/m1/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3R)-3-(3-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid

A1CKA

A1CKA
Name:	(3S)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:	C16 H13 F N4 O3
SMILES:	Fc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C16H13FN4O3/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:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3S)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid

A1CKB

A1CKB
Name:	(3S)-3-phenyl-3-[(9H-purine-6-carbonyl)amino]propanoic acid
Formula:	C15 H13 N5 O3
SMILES:	O=C(O)CC(NC(=O)c1ncnc2[NH]cnc12)c1ccccc1
InChi:	InChI=1S/C15H13N5O3/c21-11(22)6-10(9-4-2-1-3-5-9)20-15(23)13-12-14(18-7-16-12)19-8-17-13/h1-5,7-8,10H,6H2,(H,20,23)(H,21,22)(H,16,17,18,19)/t10-/m0/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3S)-3-phenyl-3-[(9H-purine-6-carbonyl)amino]propanoic acid

A1CKE

A1CKE
Name:	(3S)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid
Formula:	C17 H16 N4 O3
SMILES:	O=C(O)CC(NC(=O)c1ncnc2[NH]cc(C)c12)c1ccccc1
InChi:	InChI=1S/C17H16N4O3/c1-10-8-18-16-14(10)15(19-9-20-16)17(24)21-12(7-13(22)23)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m0/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3S)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid

A1CKF

A1CKF
Name:	(3S)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid
Formula:	C17 H16 N4 O3
SMILES:	O=C(O)CC(NC(=O)c1nc(C)nc2[NH]ccc12)c1ccccc1
InChi:	InChI=1S/C17H16N4O3/c1-10-19-15(12-7-8-18-16(12)20-10)17(24)21-13(9-14(22)23)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t13-/m0/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3S)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid

A1CKI

A1CKI
Name:	(3S)-3-(3-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:	C16 H14 N4 O4
SMILES:	Oc1cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12
InChi:	InChI=1S/C16H14N4O4/c21-10-3-1-2-9(6-10)12(7-13(22)23)20-16(24)14-11-4-5-17-15(11)19-8-18-14/h1-6,8,12,21H,7H2,(H,20,24)(H,22,23)(H,17,18,19)/t12-/m0/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3S)-3-(3-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid

A1CKJ

A1CKJ
Name:	(2R,3S)-2-hydroxy-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
Formula:	C16 H14 N4 O4
SMILES:	O=C(O)C(O)C(NC(=O)c1ncnc2[NH]ccc12)c1ccccc1
InChi:	InChI=1S/C16H14N4O4/c21-13(16(23)24)11(9-4-2-1-3-5-9)20-15(22)12-10-6-7-17-14(10)19-8-18-12/h1-8,11,13,21H,(H,20,22)(H,23,24)(H,17,18,19)/t11-,13+/m0/s1
Definition date:	2025-07-24
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(2R,3S)-2-hydroxy-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid

A1CL6

A1CL6
Name:	(2S,4R,5S,12P,23R)-11-chloro-7-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-27,28-dimethoxy-4,15-dimethyl-32-oxo-19-oxa-2,5,15,16,23-pentaazaheptacyclo[21.6.1.1~2,6~.1~5,8~.0~12,31~.0~13,17~.0~26,30~]dotriaconta-1(30),6,8(31),9,11,13,16,24,26,28-decaene-24-carboxylic acid (non-preferred name)
Formula:	C42 H43 Cl2 N5 O7
SMILES:	Cc1cc(cc(C)c1Cl)OCCCc1c2ccc(Cl)c3c2n2c1C(=O)N(CC2C)c1cc(OC)c(OC)c2cc(n(CCCOCc4nn(C)cc34)c21)C(=O)O
InChi:	InChI=1S/C42H43Cl2N5O7/c1-22-15-25(16-23(2)36(22)44)56-14-7-9-26-27-10-11-30(43)35-29-20-46(4)45-31(29)21-55-13-8-12-47-33(42(51)52)17-28-37(47)32(18-34(53-5)40(28)54-6)48-19-24(3)49(38(27)35)39(26)41(48)50/h10-11,15-18,20,24H,7-9,12-14,19,21H2,1-6H3,(H,51,52)/t24-/m1/s1
Definition date:	2025-08-05
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(2S,4R,5S,12P,23R)-11-chloro-7-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-27,28-dimethoxy-4,15-dimethyl-32-oxo-19-oxa-2,5,15,16,23-pentaazaheptacyclo[21.6.1.1~2,6~.1~5,8~.0~12,31~.0~13,17~.0~26,30~]dotriaconta-1(30),6,8(31),9,11,13,16,24,26,28-decaene-24-carboxylic acid (non-preferred name)

A1CRZ

A1CRZ
Name:	(3P)-6-chloro-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine
Formula:	C19 H12 Cl N3
SMILES:	Clc1cc(c(nn1)c1ccc2ccccc2c1)c1ccncc1
InChi:	InChI=1S/C19H12ClN3/c20-18-12-17(14-7-9-21-10-8-14)19(23-22-18)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H
Definition date:	2025-09-02
Last modified:	2025-09-12
Release date:	2025-09-17
Identifier:	(3P)-6-chloro-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine

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