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9YP
9YP
Name:{[(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid
Formula:C12 H21 N5 O9 P2
SMILES:O=P(O)(O)CCOCC(COCP(=O)(O)O)Cn1cnc2c1N=C(N)NC2=O
InChi:InChI=1S/C12H21N5O9P2/c13-12-15-10-9(11(18)16-12)14-6-17(10)3-8(5-26-7-28(22,23)24)4-25-1-2-27(19,20)21/h6,8H,1-5,7H2,(H2,19,20,21)(H2,22,23,24)(H3,13,15,16,18)/t8-/m1/s1
Definition date:2017-06-27
Last modified:2024-03-02
Release date:2017-08-30
Identifier:{[(2R)-2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-3-(2-phosphonoethoxy)propoxy]methyl}phosphonic acid
XG7
XG7
Name:3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide
Formula:C18 H18 N4 O2
SMILES:CN1N(C(=O)C(=C1C)NC(=O)c2cccc(N)c2)c3ccccc3
InChi:InChI=1S/C18H18N4O2/c1-12-16(20-17(23)13-7-6-8-14(19)11-13)18(24)22(21(12)2)15-9-4-3-5-10-15/h3-11H,19H2,1-2H3,(H,20,23)
Synonyms:3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
Definition date:2023-11-01
Last modified:2024-03-01
Release date:2024-03-06
Identifier:3-azanyl-~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide
YW0
YW0
Name:methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
Formula:C20 H27 N3 O4
SMILES:C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O
InChi:InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26)
Definition date:2023-06-22
Last modified:2024-03-01
Release date:2024-03-06
Identifier:methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate
YWQ
YWQ
Name:uridine 5'-heptaphosphate
Formula:C9 H19 N2 O27 P7
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(N2C=CC(=O)NC2=O)C(O)C1O
InChi:InChI=1S/C9H19N2O27P7/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(32-8)3-31-40(19,20)34-42(23,24)36-44(27,28)38-45(29,30)37-43(25,26)35-41(21,22)33-39(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,10,12,15)(H2,16,17,18)/t4-,6+,7+,8-/m0/s1
Definition date:2023-03-02
Last modified:2024-03-01
Release date:2024-03-06
Identifier:1-{5-O-[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-beta-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione
XJR
XJR
Name:N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
Formula:C20 H21 N3 O4
SMILES:COc1ccc(OCC(=O)NC2=C(C)N(C)N(C2=O)c3ccccc3)cc1
InChi:InChI=1S/C20H21N3O4/c1-14-19(20(25)23(22(14)2)15-7-5-4-6-8-15)21-18(24)13-27-17-11-9-16(26-3)10-12-17/h4-12H,13H2,1-3H3,(H,21,24)
Synonyms:N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide
Definition date:2023-11-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4-methoxyphenoxy)ethanamide
XKQ
XKQ
Name:methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
Formula:C24 H40 F2 N4 O6
SMILES:CNC(=O)C(O)C(CCC(C)(F)F)NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)OC)C(C)(C)C
InChi:InChI=1S/C24H40F2N4O6/c1-23(2,3)18(29-22(35)36-6)21(34)30-12-13-8-7-9-14(13)16(30)19(32)28-15(10-11-24(4,25)26)17(31)20(33)27-5/h13-18,31H,7-12H2,1-6H3,(H,27,33)(H,28,32)(H,29,35)/t13-,14-,15-,16-,17+,18+/m0/s1
Definition date:2023-11-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate (non-preferred name)
YMC
YMC
Name:4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol
Formula:C19 H14 N2 O3
SMILES:Oc1cccc(c1)c2ccc(Nc3cccc4onc(O)c34)cc2
InChi:InChI=1S/C19H14N2O3/c22-15-4-1-3-13(11-15)12-7-9-14(10-8-12)20-16-5-2-6-17-18(16)19(23)21-24-17/h1-11,20,22H,(H,21,23)
Synonyms:4-[(3'-hydroxy[1,1'-biphenyl]-4-yl)amino]-1,2-benzoxazol-3-ol
Definition date:2023-12-05
Last modified:2024-03-01
Release date:2024-03-06
Identifier:4-[[4-(3-hydroxyphenyl)phenyl]amino]-1,2-benzoxazol-3-ol
Y53
Y53
Name:5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
Formula:C22 H27 N5 O2
SMILES:CC1(C)CC(CC(C)(C)N1)Oc2ccc(nn2)c3ccc(cc3O)c4c[nH]nc4
InChi:InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
Definition date:2023-11-21
Last modified:2024-03-01
Release date:2024-03-06
Identifier:5-(1~{H}-pyrazol-4-yl)-2-[6-(2,2,6,6-tetramethylpiperidin-4-yl)oxypyridazin-3-yl]phenol
Y59
Y59
Name:7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one
Formula:C22 H24 N7 O
SMILES:Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5
InChi:InChI=1S/C22H24N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3,(H,25,30)
Definition date:2023-11-21
Last modified:2024-03-01
Release date:2024-03-06
Identifier:7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one
ZR0
ZR0
Name:4-bromobenzene-1,3-dicarboxylic acid
Formula:C8 H5 Br O4
SMILES:OC(=O)c1cc(ccc1Br)C(=O)O
InChi:InChI=1S/C8H5BrO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
Definition date:2023-07-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:4-bromobenzene-1,3-dicarboxylic acid
ZR3
ZR3
Name:2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
Formula:C10 H9 Cl N2 O3
SMILES:O=C(O)c1cc(ccc1Cl)N1CCNC1=O
InChi:InChI=1S/C10H9ClN2O3/c11-8-2-1-6(5-7(8)9(14)15)13-4-3-12-10(13)16/h1-2,5H,3-4H2,(H,12,16)(H,14,15)
Definition date:2023-07-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
ZR6
ZR6
Name:2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
Formula:C11 H12 N2 O3
SMILES:O=C(O)c1cccc(c1C)N1CCNC1=O
InChi:InChI=1S/C11H12N2O3/c1-7-8(10(14)15)3-2-4-9(7)13-6-5-12-11(13)16/h2-4H,5-6H2,1H3,(H,12,16)(H,14,15)
Definition date:2023-07-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
ZR9
ZR9
Name:2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
Formula:C9 H6 N2 O4
SMILES:O=C(O)c1ccc2NC(=O)NC(=O)c2c1
InChi:InChI=1S/C9H6N2O4/c12-7-5-3-4(8(13)14)1-2-6(5)10-9(15)11-7/h1-3H,(H,13,14)(H2,10,11,12,15)
Definition date:2023-07-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
ZRE
ZRE
Name:7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
Formula:C10 H8 F N O3
SMILES:O=C(O)c1cc2CCC(=O)Nc2cc1F
InChi:InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)
Definition date:2023-07-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
ZRI
ZRI
Name:(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
Formula:C9 H9 N O2
SMILES:O=C(O)C1CC1c1ccccn1
InChi:InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1
Definition date:2023-07-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
ZRZ
ZRZ
Name:3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
Formula:C16 H19 N O4
SMILES:O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1
InChi:InChI=1S/C16H19NO4/c18-14(12-4-3-5-13(10-12)15(19)20)17-8-9-21-16(11-17)6-1-2-7-16/h3-5,10H,1-2,6-9,11H2,(H,19,20)
Definition date:2023-07-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
ZS5
ZS5
Name:(3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
Formula:C13 H13 N O3 S
SMILES:O=C(O)C1CSC2(CCC(=O)N12)c1ccccc1
InChi:InChI=1S/C13H13NO3S/c15-11-6-7-13(9-4-2-1-3-5-9)14(11)10(8-18-13)12(16)17/h1-5,10H,6-8H2,(H,16,17)/t10-,13+/m0/s1
Definition date:2023-07-03
Last modified:2024-03-01
Release date:2024-03-06
Identifier:(3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
YQT
YQT
Name:3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline
Formula:C16 H11 N3
SMILES:[nH]1cc(c2ccncc2)c3cc4ccncc4cc13
InChi:InChI=1S/C16H11N3/c1-4-17-5-2-11(1)15-10-19-16-8-13-9-18-6-3-12(13)7-14(15)16/h1-10,19H
Definition date:2023-12-11
Last modified:2024-03-01
Release date:2024-03-06
Identifier:3-pyridin-4-yl-1~{H}-pyrrolo[3,2-g]isoquinoline
Y9J
Y9J
Name:2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid
Formula:C23 H34 O5
SMILES:CCCCC[CH](O)CC[CH]1[CH](O)C[CH]2Cc3c(C[CH]12)cccc3OCC(O)=O
InChi:InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1
Definition date:2023-11-28
Last modified:2024-03-01
Release date:2024-03-06
Identifier:2-[[(1~{R},2~{R},3~{a}~{S},9~{a}~{S})-2-oxidanyl-1-[(3~{S})-3-oxidanyloctyl]-2,3,3~{a},4,9,9~{a}-hexahydro-1~{H}-cyclopenta[g]naphthalen-5-yl]oxy]ethanoic acid
Y9Q
Y9Q
Name:2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid
Formula:C25 H29 N3 O3
SMILES:CC(C)N(CCCCOCC(O)=O)c1cnc(c2ccccc2)c(n1)c3ccccc3
InChi:InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)
Definition date:2023-11-28
Last modified:2024-03-01
Release date:2024-03-06
Identifier:2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-yl-amino]butoxy]ethanoic acid
XS8
XS8
Name:(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine
Formula:C9 H10 F N O
SMILES:N[CH]1CCOc2ccc(F)cc12
InChi:InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1
Definition date:2023-11-09
Last modified:2024-03-01
Release date:2024-03-06
Identifier:(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine
YB3
YB3
Name:2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
Formula:C21 H21 F N6
SMILES:CN1CCN(CC1)c2ccc3nc(ncc3c2)c4cn5cc(C)nc5c(F)c4
InChi:InChI=1S/C21H21FN6/c1-14-12-28-13-16(10-18(22)21(28)24-14)20-23-11-15-9-17(3-4-19(15)25-20)27-7-5-26(2)6-8-27/h3-4,9-13H,5-8H2,1-2H3
Definition date:2023-11-30
Last modified:2024-03-01
Release date:2024-03-06
Identifier:2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-6-(4-methylpiperazin-1-yl)quinazoline
A1AAD
A1AAD
Name:(2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate
Formula:C35 H34 Cl F7 N10 O3
SMILES:FC(F)n1ncnc1c1cc(ccc1Cl)C(COC(=O)NC1(CC1)C(F)F)N1C(=O)C(CC(C)(C)C(F)(F)F)(NC1=N)c1ccc(cc1)c1cnn(n1)C1CC1
InChi:InChI=1S/C35H34ClF7N10O3/c1-32(2,35(41,42)43)16-34(20-6-3-18(4-7-20)24-14-46-53(50-24)21-8-9-21)28(54)51(30(44)48-34)25(15-56-31(55)49-33(11-12-33)27(37)38)19-5-10-23(36)22(13-19)26-45-17-47-52(26)29(39)40/h3-7,10,13-14,17,21,25,27,29H,8-9,11-12,15-16H2,1-2H3,(H2,44,48)(H,49,55)/t25-,34-/m1/s1
Definition date:2023-12-12
Last modified:2024-03-01
Release date:2024-03-06
Identifier:(2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2Z,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate
A1ACS
A1ACS
Name:N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea
Formula:C25 H34 N4 O
SMILES:CC(c1ccncc1)N1CCC(NC(=O)NC2CCCC2Cc2ccccc2)CC1
InChi:InChI=1S/C25H34N4O/c1-19(21-10-14-26-15-11-21)29-16-12-23(13-17-29)27-25(30)28-24-9-5-8-22(24)18-20-6-3-2-4-7-20/h2-4,6-7,10-11,14-15,19,22-24H,5,8-9,12-13,16-18H2,1H3,(H2,27,28,30)/t19-,22+,24-/m0/s1
Definition date:2024-01-16
Last modified:2024-03-01
Release date:2024-03-06
Identifier:N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea
A1H4Y
A1H4Y
Name:(6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline
Formula:C28 H37 N5 O
SMILES:CCCCC[CH]1CCc2nc(c(c3[nH]nnn3)c(c2C1)c4ccccc4)C5(CCCC5)COC
InChi:InChI=1S/C28H37N5O/c1-3-4-6-11-20-14-15-23-22(18-20)24(21-12-7-5-8-13-21)25(27-30-32-33-31-27)26(29-23)28(19-34-2)16-9-10-17-28/h5,7-8,12-13,20H,3-4,6,9-11,14-19H2,1-2H3,(H,30,31,32,33)/t20-/m0/s1
Definition date:2024-02-19
Last modified:2024-03-01
Release date:2024-03-06
Identifier:(6~{S})-2-[1-(methoxymethyl)cyclopentyl]-6-pentyl-4-phenyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)-5,6,7,8-tetrahydroquinoline

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