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A1BGY
A1BGY
Name:5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide
Formula:C16 H19 N3 O
SMILES:O=C(Nc1ccncc1C)c1cc(C2CC2)n(C)c1C
InChi:InChI=1S/C16H19N3O/c1-10-9-17-7-6-14(10)18-16(20)13-8-15(12-4-5-12)19(3)11(13)2/h6-9,12H,4-5H2,1-3H3,(H,17,18,20)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide
A1BGZ
A1BGZ
Name:(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide
Formula:C18 H18 N4 O2
SMILES:O=C(Nc1cn(C)nc1)c1ccccc1c1ccnc(COC)c1
InChi:InChI=1S/C18H18N4O2/c1-22-11-15(10-20-22)21-18(23)17-6-4-3-5-16(17)13-7-8-19-14(9-13)12-24-2/h3-11H,12H2,1-2H3,(H,21,23)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2M)-2-[2-(methoxymethyl)pyridin-4-yl]-N-(1-methyl-1H-pyrazol-4-yl)benzamide
A1BHC
A1BHC
Name:3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
Formula:C21 H28 Cl N3 O3
SMILES:Clc1cc(cc(NCc2ccc(O)c(CN(C)C)c2)c1)C(=O)NC(C)(C)CO
InChi:InChI=1S/C21H28ClN3O3/c1-21(2,13-26)24-20(28)15-8-17(22)10-18(9-15)23-11-14-5-6-19(27)16(7-14)12-25(3)4/h5-10,23,26-27H,11-13H2,1-4H3,(H,24,28)
Definition date:2024-11-11
Last modified:2025-02-21
Release date:2025-02-26
Identifier:3-chloro-5-[({3-[(dimethylamino)methyl]-4-hydroxyphenyl}methyl)amino]-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
A1BIV
A1BIV
Name:6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Formula:C22 H17 Cl N4 O3
SMILES:Clc1ccc(cc1)c1[NH]c2c(C(=O)NC(=O)N2C)c1C1c2ccccc2N(C)C1=O
InChi:InChI=1S/C22H17ClN4O3/c1-26-14-6-4-3-5-13(14)15(21(26)29)16-17-19(27(2)22(30)25-20(17)28)24-18(16)11-7-9-12(23)10-8-11/h3-10,15,24H,1-2H3,(H,25,28,30)/t15-/m0/s1
Definition date:2024-12-02
Last modified:2025-02-21
Release date:2025-02-26
Identifier:6-(4-chlorophenyl)-1-methyl-5-[(3S)-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
A1BIW
A1BIW
Name:N-[(5R)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]-2-hydroxyquinoxaline-6-carboxamide
Formula:C19 H17 N3 O4 S
SMILES:Oc1cnc2cc(ccc2n1)C(=O)NC1CCCS(=O)(=O)c2ccccc21
InChi:InChI=1S/C19H17N3O4S/c23-18-11-20-16-10-12(7-8-15(16)21-18)19(24)22-14-5-3-9-27(25,26)17-6-2-1-4-13(14)17/h1-2,4,6-8,10-11,14H,3,5,9H2,(H,21,23)(H,22,24)/t14-/m1/s1
Definition date:2024-12-02
Last modified:2025-02-21
Release date:2025-02-26
Identifier:N-[(5R)-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda~6~-benzothiepin-5-yl]-2-hydroxyquinoxaline-6-carboxamide
A1BIX
A1BIX
Name:(4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Formula:C20 H19 N7 O2
SMILES:CCOc1cccc(c1)C1CC(=O)Nc2c1c(C)nn2c1ccc2nncn2n1
InChi:InChI=1S/C20H19N7O2/c1-3-29-14-6-4-5-13(9-14)15-10-18(28)22-20-19(15)12(2)24-27(20)17-8-7-16-23-21-11-26(16)25-17/h4-9,11,15H,3,10H2,1-2H3,(H,22,28)/t15-/m0/s1
Definition date:2024-12-02
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(4S)-4-(3-ethoxyphenyl)-3-methyl-1-[(4R)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
A1BLQ
A1BLQ
Name:(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol
Formula:C21 H25 F3 N4 O
SMILES:CN1CCCC(Nc2nnc(c3ccc(cc3O)C(F)(F)F)c3CCCCc23)C1
InChi:InChI=1S/C21H25F3N4O/c1-28-10-4-5-14(12-28)25-20-16-7-3-2-6-15(16)19(26-27-20)17-9-8-13(11-18(17)29)21(22,23)24/h8-9,11,14,29H,2-7,10,12H2,1H3,(H,25,27)/t14-/m1/s1
Definition date:2024-12-16
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2P)-2-(4-{[(3R)-1-methylpiperidin-3-yl]amino}-5,6,7,8-tetrahydrophthalazin-1-yl)-5-(trifluoromethyl)phenol
A1BLR
A1BLR
Name:(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol
Formula:C17 H19 F3 N4 O
SMILES:CN1CCCC(Nc2ccc(nn2)c2ccc(cc2O)C(F)(F)F)C1
InChi:InChI=1S/C17H19F3N4O/c1-24-8-2-3-12(10-24)21-16-7-6-14(22-23-16)13-5-4-11(9-15(13)25)17(18,19)20/h4-7,9,12,25H,2-3,8,10H2,1H3,(H,21,23)/t12-/m1/s1
Definition date:2024-12-16
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2M)-2-(6-{[(3R)-1-methylpiperidin-3-yl]amino}pyridazin-3-yl)-5-(trifluoromethyl)phenol
A1BLV
A1BLV
Name:(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
Formula:C25 H26 N6
SMILES:N#Cc1cccc2c1CCC2Nc1cc(nc(NC)n1)c1cccc(c1)N1CCCC1
InChi:InChI=1S/C25H26N6/c1-27-25-29-23(17-6-4-8-19(14-17)31-12-2-3-13-31)15-24(30-25)28-22-11-10-20-18(16-26)7-5-9-21(20)22/h4-9,14-15,22H,2-3,10-13H2,1H3,(H2,27,28,29,30)/t22-/m1/s1
Definition date:2024-12-17
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(1R)-1-({(6M)-2-(methylamino)-6-[3-(pyrrolidin-1-yl)phenyl]pyrimidin-4-yl}amino)-2,3-dihydro-1H-indene-4-carbonitrile
A1BN6
A1BN6
Name:(3S)-1-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetyl]piperidine-3-carboxamide
Formula:C15 H21 N3 O3
SMILES:O=C(CC1=C(C)C=C(C)NC1=O)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C15H21N3O3/c1-9-6-10(2)17-15(21)12(9)7-13(19)18-5-3-4-11(8-18)14(16)20/h6,11H,3-5,7-8H2,1-2H3,(H2,16,20)(H,17,21)/t11-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)acetyl]piperidine-3-carboxamide
A1BN7
A1BN7
Name:(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide
Formula:C11 H12 Cl F2 N3 O2 S
SMILES:FC(F)(c1cnsc1Cl)C(=O)N1CCCC(C1)C(N)=O
InChi:InChI=1S/C11H12ClF2N3O2S/c12-8-7(4-16-20-8)11(13,14)10(19)17-3-1-2-6(5-17)9(15)18/h4,6H,1-3,5H2,(H2,15,18)/t6-/m0/s1
Definition date:2025-01-10
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-1-[(5-chloro-1,2-thiazol-4-yl)di(fluoro)acetyl]piperidine-3-carboxamide
A1L0U
A1L0U
Name:2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid
Formula:C9 H11 N3 O4
SMILES:Cc1nc(C)c(O)c(n1)C(=O)NCC(O)=O
InChi:InChI=1S/C9H11N3O4/c1-4-8(15)7(12-5(2)11-4)9(16)10-3-6(13)14/h15H,3H2,1-2H3,(H,10,16)(H,13,14)
Definition date:2024-04-19
Last modified:2025-02-21
Release date:2025-02-26
Identifier:2-[(2,6-dimethyl-5-oxidanyl-pyrimidin-4-yl)carbonylamino]ethanoic acid
A1L0V
A1L0V
Name:2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid
Formula:C15 H14 F N3 O4
SMILES:Cc1nc(Cc2ccc(F)cc2)c(O)c(n1)C(=O)NCC(O)=O
InChi:InChI=1S/C15H14FN3O4/c1-8-18-11(6-9-2-4-10(16)5-3-9)14(22)13(19-8)15(23)17-7-12(20)21/h2-5,22H,6-7H2,1H3,(H,17,23)(H,20,21)
Definition date:2024-04-19
Last modified:2025-02-21
Release date:2025-02-26
Identifier:2-[[6-[(4-fluorophenyl)methyl]-2-methyl-5-oxidanyl-pyrimidin-4-yl]carbonylamino]ethanoic acid
A1L0X
A1L0X
Name:2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid
Formula:C21 H19 N3 O4
SMILES:Cc1nc(Cc2ccc(cc2)c3ccccc3)nc(C(=O)NCC(O)=O)c1O
InChi:InChI=1S/C21H19N3O4/c1-13-20(27)19(21(28)22-12-18(25)26)24-17(23-13)11-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,27H,11-12H2,1H3,(H,22,28)(H,25,26)
Definition date:2024-04-19
Last modified:2025-02-21
Release date:2025-02-26
Identifier:2-[[6-methyl-5-oxidanyl-2-[(4-phenylphenyl)methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid
A1L4E
A1L4E
Name:5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
Formula:C13 H6 F7 N O2
SMILES:Nc1ccc(Oc2c(F)c(F)c(c(F)c2F)C(F)(F)F)c(O)c1
InChi:InChI=1S/C13H6F7NO2/c14-8-7(13(18,19)20)9(15)11(17)12(10(8)16)23-6-2-1-4(21)3-5(6)22/h1-3,22H,21H2
Definition date:2024-09-26
Last modified:2025-02-21
Release date:2025-02-26
Identifier:5-azanyl-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
A1L4F
A1L4F
Name:5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
Formula:C22 H23 F7 N2 O3
SMILES:Oc1cc(NCCCCCN2CCOCC2)ccc1Oc3c(F)c(F)c(c(F)c3F)C(F)(F)F
InChi:InChI=1S/C22H23F7N2O3/c23-17-16(22(27,28)29)18(24)20(26)21(19(17)25)34-15-5-4-13(12-14(15)32)30-6-2-1-3-7-31-8-10-33-11-9-31/h4-5,12,30,32H,1-3,6-11H2
Definition date:2024-09-26
Last modified:2025-02-21
Release date:2025-02-26
Identifier:5-(5-morpholin-4-ylpentylamino)-2-[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenoxy]phenol
A1H6Z
A1H6Z
Name:(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanal
Formula:C8 H11 N3 O2
SMILES:N[CH](Cc1ccc(N)nc1)C(O)=O
InChi:InChI=1S/C8H11N3O2/c9-6(8(12)13)3-5-1-2-7(10)11-4-5/h1-2,4,6H,3,9H2,(H2,10,11)(H,12,13)/t6-/m0/s1
Definition date:2024-03-27
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2~{S})-2-azanyl-3-(6-azanylpyridin-3-yl)propanoic acid
A1H7V
A1H7V
Name:(2R,3S,4S,5R,6R)-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
Formula:C18 H35 F O5
SMILES:CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F
InChi:InChI=1S/C18H35FO5/c1-2-3-4-5-6-7-8-9-10-11-12-23-18-15(19)17(22)16(21)14(13-20)24-18/h14-18,20-22H,2-13H2,1H3/t14-,15-,16-,17-,18-/m1/s1
Synonyms:N-[1-[(2R,3R,4S,5S,6R)-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]octadecanamide
Definition date:2024-04-05
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{R})-6-dodecoxy-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
A1AFF
A1AFF
Name:(3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine
Formula:C13 H18 N2 O2 S2
SMILES:O=S(=O)(N1CCC(N1)c1ccccc1)C1CCCS1
InChi:InChI=1S/C13H18N2O2S2/c16-19(17,13-7-4-10-18-13)15-9-8-12(14-15)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2/t12-,13+/m0/s1
Definition date:2024-02-23
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(3S)-3-phenyl-1-[(2R)-thiolane-2-sulfonyl]pyrazolidine
A1A3E
A1A3E
Name:(6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Formula:C11 H14 Cl N5
SMILES:Clc1ccc(cc1)N1C(N)=NC(N)=NC1CC
InChi:InChI=1S/C11H14ClN5/c1-2-9-15-10(13)16-11(14)17(9)8-5-3-7(12)4-6-8/h3-6,9H,2H2,1H3,(H4,13,14,15,16)/t9-/m0/s1
Definition date:2024-08-23
Last modified:2025-02-21
Release date:2025-02-26
Identifier:(6S)-1-(4-chlorophenyl)-6-ethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
MYR
MYR
Name:MYRISTIC ACID
Formula:C14 H28 O2
SMILES:O=C(O)CCCCCCCCCCCCC
InChi:InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
Definition date:1999-07-07
Last modified:2025-02-18
Identifier:tetradecanoic acid
C2K
C2K
Name:(3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,18(22),19-hexaene-3-carboxamide
Formula:C25 H23 Cl F3 N3 O4
SMILES:FC(F)(F)c1ccc2C(=O)N[CH](Cc3ccc(OCCCCOc2c1)c(Cl)c3)C(=O)NC4(CC4)C#N
InChi:InChI=1S/C25H23ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,31,33)(H,32,34)/t19-/m0/s1
Definition date:2017-11-08
Last modified:2025-02-18
Release date:2018-04-11
Identifier:(3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-9-(trifluoromethyl)-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,18(22),19-hexaene-3-carboxamide
JY9
JY9
Name:4-[8-(aminomethyl)-2-[[5-(3-oxidanylpropyl)quinolin-8-yl]carbamoyl]quinolin-4-yl]butyl dihydrogen phosphite
Formula:C27 H31 N4 O5 P
SMILES:NCc1cccc2c(CCCCOP(O)O)cc(nc12)C(=O)Nc3ccc(CCCO)c4cccnc34
InChi:InChI=1S/C27H31N4O5P/c28-17-20-7-3-9-22-19(6-1-2-15-36-37(34)35)16-24(30-25(20)22)27(33)31-23-12-11-18(8-5-14-32)21-10-4-13-29-26(21)23/h3-4,7,9-13,16,32,34-35H,1-2,5-6,8,14-15,17,28H2,(H,31,33)
Definition date:2023-08-10
Last modified:2025-02-14
Release date:2025-02-19
Identifier:4-[8-(aminomethyl)-2-[[5-(3-oxidanylpropyl)quinolin-8-yl]carbamoyl]quinolin-4-yl]butyl dihydrogen phosphite
PAB
PAB
Name:4-AMINOBENZOIC ACID
Formula:C7 H7 N O2
SMILES:O=C(O)c1ccc(N)cc1
InChi:InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
Definition date:1999-07-08
Last modified:2025-02-14
Identifier:4-aminobenzoic acid
A1D7R
A1D7R
Name:(2~{S})-2-azanyl-3-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]propanoic acid
Formula:C16 H20 N2 O2
SMILES:CC(C)=CCc1ccc2c(C[CH](N)C(O)=O)c[nH]c2c1
InChi:InChI=1S/C16H20N2O2/c1-10(2)3-4-11-5-6-13-12(8-14(17)16(19)20)9-18-15(13)7-11/h3,5-7,9,14,18H,4,8,17H2,1-2H3,(H,19,20)/t14-/m0/s1
Synonyms:6-dimethylallyl-L-tryptophan
Definition date:2024-04-12
Last modified:2025-02-14
Release date:2025-02-19
Identifier:(2~{S})-2-azanyl-3-[6-(3-methylbut-2-enyl)-1~{H}-indol-3-yl]propanoic acid

238895

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