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8JA
8JA
Name:N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide
Formula:C12 H18 N4 O5
SMILES:ONC(=O)CCCCCCC(=O)NC1=CNC(=O)NC1=O
InChi:InChI=1S/C12H18N4O5/c17-9(5-3-1-2-4-6-10(18)16-21)14-8-7-13-12(20)15-11(8)19/h7,21H,1-6H2,(H,14,17)(H,16,18)(H2,13,15,19,20)
Definition date:2021-12-17
Last modified:2024-05-24
Release date:2024-05-29
Identifier:~{N}-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]-~{N}'-oxidanyl-octanediamide
A1H7Y
A1H7Y
Name:4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide
Formula:C26 H22 N4 O3
SMILES:Cn1cnc(c2cc(ccc2C)C(=O)Nc3ccccc3)c1c4ccc5NC(=O)COc5c4
InChi:InChI=1S/C26H22N4O3/c1-16-8-9-18(26(32)28-19-6-4-3-5-7-19)12-20(16)24-25(30(2)15-27-24)17-10-11-21-22(13-17)33-14-23(31)29-21/h3-13,15H,14H2,1-2H3,(H,28,32)(H,29,31)
Definition date:2024-04-09
Last modified:2024-05-24
Release date:2024-05-29
Identifier:4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide
A1H7Z
A1H7Z
Name:7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one
Formula:C25 H27 N3 O3
SMILES:Cc1onc(c2cc(CN3CCCCC3)ccc2C)c1c4ccc5NC(=O)COc5c4
InChi:InChI=1S/C25H27N3O3/c1-16-6-7-18(14-28-10-4-3-5-11-28)12-20(16)25-24(17(2)31-27-25)19-8-9-21-22(13-19)30-15-23(29)26-21/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,26,29)
Definition date:2024-04-09
Last modified:2024-05-24
Release date:2024-05-29
Identifier:7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one
A1LX6
A1LX6
Name:(1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
Formula:C17 H19 N O
SMILES:CN1CCO[CH](c2ccccc2)c3ccccc3C1
InChi:InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1
Synonyms:Nefopam
Definition date:2024-02-09
Last modified:2024-05-24
Release date:2024-05-29
Identifier:(1~{S})-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
A1LYV
A1LYV
Name:(2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid
Formula:C17 H13 F3 N2 O6
SMILES:OC(=O)C[CH](NC(=O)c1cccc(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O
InChi:InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/t13-/m0/s1
Definition date:2024-03-07
Last modified:2024-05-24
Release date:2024-05-29
Identifier:(2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid
A1AP9
A1AP9
Name:(5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione
Formula:C7 H11 N3 O2
SMILES:O=C1NC(=O)NC21CCCNC2
InChi:InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m0/s1
Definition date:2024-04-29
Last modified:2024-05-24
Release date:2024-05-29
Identifier:(5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione
A1AQA
A1AQA
Name:[(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone
Formula:C11 H15 N3 O
SMILES:CC1CCCCN1C(=O)c1cnccn1
InChi:InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1
Definition date:2024-04-29
Last modified:2024-05-24
Release date:2024-05-29
Identifier:[(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone
A1AQB
A1AQB
Name:(2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Formula:C10 H11 N3 O
SMILES:Nc1cccc(c1)N1N=C(C)CC1=O
InChi:InChI=1S/C10H11N3O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3
Definition date:2024-04-29
Last modified:2024-05-24
Release date:2024-05-29
Identifier:(2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
A1AQE
A1AQE
Name:methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate
Formula:C13 H16 F N O2
SMILES:O=C(OC)C1(Cc2ccc(F)cc2)CCNC1
InChi:InChI=1S/C13H16FNO2/c1-17-12(16)13(6-7-15-9-13)8-10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3/t13-/m0/s1
Definition date:2024-04-29
Last modified:2024-05-24
Release date:2024-05-29
Identifier:methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate
A1AQF
A1AQF
Name:(3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile
Formula:C5 H7 N O2 S
SMILES:N#CC1CCS(=O)(=O)C1
InChi:InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2/t5-/m0/s1
Definition date:2024-04-29
Last modified:2024-05-24
Release date:2024-05-29
Identifier:(3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile
A1AQJ
A1AQJ
Name:(3-hydroxyphenyl)(morpholin-4-yl)methanone
Formula:C11 H13 N O3
SMILES:O=C(c1cccc(O)c1)N1CCOCC1
InChi:InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2
Definition date:2024-04-29
Last modified:2024-05-24
Release date:2024-05-29
Identifier:(3-hydroxyphenyl)(morpholin-4-yl)methanone
A1ARP
A1ARP
Name:(4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide
Formula:C27 H34 N6 O3 S
SMILES:Cc1ncsc1c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(n2cc(nn2)C2CC2)C(C)(C)C)cc1
InChi:InChI=1S/C27H34N6O3S/c1-16-23(37-15-29-16)19-7-5-17(6-8-19)12-28-25(35)22-11-20(34)13-32(22)26(36)24(27(2,3)4)33-14-21(30-31-33)18-9-10-18/h5-8,14-15,18,20,22,24,34H,9-13H2,1-4H3,(H,28,35)/t20-,22+,24-/m1/s1
Definition date:2024-05-13
Last modified:2024-05-24
Release date:2024-05-29
Identifier:(4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide
A1ASB
A1ASB
Name:(1Z)-N-hydroxy-2-methylpropanimidamide
Formula:C4 H10 N2 O
SMILES:CC(C)C(=N)NO
InChi:InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
Definition date:2024-05-15
Last modified:2024-05-24
Release date:2024-05-29
Identifier:(1Z)-N-hydroxy-2-methylpropanimidamide
07G
07G
Name:3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid
Formula:C23 H22 Cl F2 N3 O4
SMILES:CC(C)(C)NC(=O)C(c1c2ccc(Cl)cc2[NH]c1C(=O)O)N(C=O)Cc1ccc(F)c(F)c1
InChi:InChI=1S/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-7-15(25)16(26)8-12)18-14-6-5-13(24)9-17(14)27-19(18)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)/t20-/m0/s1
Definition date:2011-09-26
Last modified:2024-05-21
Identifier:3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid
30Y
30Y
Name:(2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide
Formula:C17 H11 Cl F3 N3 O S
SMILES:Clc2ccccc2NC(=S)C(C#N)C(=O)Nc1cc(ccc1)C(F)(F)F
InChi:InChI=1S/C17H11ClF3N3OS/c18-13-6-1-2-7-14(13)24-16(26)12(9-22)15(25)23-11-5-3-4-10(8-11)17(19,20)21/h1-8,12H,(H,23,25)(H,24,26)/t12-/m1/s1
Definition date:2014-05-16
Last modified:2024-05-17
Release date:2024-05-22
Identifier:(2R)-3-[(2-chlorophenyl)amino]-2-cyano-3-thioxo-N-[3-(trifluoromethyl)phenyl]propanamide
KUO
KUO
Name:2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid
Formula:C32 H42 Cl N3 O6
SMILES:COc1ccccc1[CH]2OCCCN(CC(=O)N(CC(C)(C)C)c3ccc(Cl)cc23)C(=O)N4CCC(CC4)CC(O)=O
InChi:InChI=1S/C32H42ClN3O6/c1-32(2,3)21-36-26-11-10-23(33)19-25(26)30(24-8-5-6-9-27(24)41-4)42-17-7-14-35(20-28(36)37)31(40)34-15-12-22(13-16-34)18-29(38)39/h5-6,8-11,19,22,30H,7,12-18,20-21H2,1-4H3,(H,38,39)/t30-/m1/s1
Definition date:2022-10-17
Last modified:2024-05-17
Release date:2024-05-22
Identifier:2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid
KV3
KV3
Name:(1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid
Formula:C31 H39 Cl N2 O6
SMILES:COc1ccccc1[CH]2OCCN([CH]3CCC[CH](C3)C(O)=O)C(=O)CC(=O)N(CC(C)(C)C)c4ccc(Cl)cc24
InChi:InChI=1S/C31H39ClN2O6/c1-31(2,3)19-34-25-13-12-21(32)17-24(25)29(23-10-5-6-11-26(23)39-4)40-15-14-33(27(35)18-28(34)36)22-9-7-8-20(16-22)30(37)38/h5-6,10-13,17,20,22,29H,7-9,14-16,18-19H2,1-4H3,(H,37,38)/t20-,22+,29+/m0/s1
Definition date:2022-10-17
Last modified:2024-05-17
Release date:2024-05-22
Identifier:(1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid
A1H58
A1H58
Name:azanyl-chloranyl-(2-methylpyridin-1-ium-1-yl)platinum
Formula:C6 H9 Cl N2 Pt
SMILES:Cc1cccc[n+]1[Pt](N)Cl
InChi:InChI=1S/C6H7N.ClH.H2N.Pt/c1-6-4-2-3-5-7-6
Definition date:2024-03-14
Last modified:2024-05-17
Release date:2024-05-22
Identifier:azanyl-chloranyl-(2-methylpyridin-1-ium-1-yl)platinum
A1LVB
A1LVB
Name:(2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid
Formula:C24 H26 Cl F N2 O4
SMILES:C[CH]([CH](NC(=O)[CH](F)c1ccc(Cl)cc1)c2ccc(C)c(OCC(C)(C)C#N)c2)C(O)=O
InChi:InChI=1S/C24H26ClFN2O4/c1-14-5-6-17(11-19(14)32-13-24(3,4)12-27)21(15(2)23(30)31)28-22(29)20(26)16-7-9-18(25)10-8-16/h5-11,15,20-21H,13H2,1-4H3,(H,28,29)(H,30,31)
Definition date:2023-12-19
Last modified:2024-05-17
Release date:2024-05-22
Identifier:(2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid
A1LVC
A1LVC
Name:(2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
Formula:C27 H29 F N2 O4
SMILES:CCOc1cccnc1Cc2ccc(cc2)[CH](F)C(=O)N[CH]([CH](C)C(O)=O)c3ccc(C)cc3
InChi:InChI=1S/C27H29FN2O4/c1-4-34-23-6-5-15-29-22(23)16-19-9-13-20(14-10-19)24(28)26(31)30-25(18(3)27(32)33)21-11-7-17(2)8-12-21/h5-15,18,24-25H,4,16H2,1-3H3,(H,30,31)(H,32,33)
Definition date:2023-12-19
Last modified:2024-05-17
Release date:2024-05-22
Identifier:(2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid
A1LYU
A1LYU
Name:4-methyl-8-[(S)-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one
Formula:C25 H18 O4
SMILES:CC1=CC(=O)Oc2c1ccc3oc([CH](O)c4ccccc4)c(c5ccccc5)c23
InChi:InChI=1S/C25H18O4/c1-15-14-20(26)29-24-18(15)12-13-19-22(24)21(16-8-4-2-5-9-16)25(28-19)23(27)17-10-6-3-7-11-17/h2-14,23,27H,1H3/t23-/m0/s1
Definition date:2024-03-05
Last modified:2024-05-17
Release date:2024-05-22
Identifier:4-methyl-8-[(~{S})-oxidanyl(phenyl)methyl]-9-phenyl-furo[2,3-h]chromen-2-one
A1LZP
A1LZP
Name:Trans-Geranyl Bacteriopheophytin B
Formula:C55 H72 N4 O6
SMILES:COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C
InChi:InChI=1S/C55H72N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h13,19,25,27-30,32,34-35,40,51,57,59H,14-18,20-24,26H2,1-12H3/b31-19+,33-25-,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t32-,34?,35?,40?,51-/m1/s1
Definition date:2024-03-27
Last modified:2024-05-17
Release date:2024-05-22
A1LZQ
A1LZQ
Name:Trans-Geranyl 8-vinyl-bacteriochlorophyll B
Formula:C55 H70 Mg N4 O6
SMILES:COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[CH](C)[CH]4C=C
InChi:InChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3
Definition date:2024-03-27
Last modified:2024-05-17
Release date:2024-05-22
A1LZU
A1LZU
Name:[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate
Formula:C13 H21 O5 P
SMILES:CC(C)c1cccc(C(C)C)c1OCO[P](O)(O)=O
InChi:InChI=1S/C13H21O5P/c1-9(2)11-6-5-7-12(10(3)4)13(11)17-8-18-19(14,15)16/h5-7,9-10H,8H2,1-4H3,(H2,14,15,16)
Definition date:2024-03-29
Last modified:2024-05-17
Release date:2024-05-22
Identifier:[2,6-di(propan-2-yl)phenoxy]methyl dihydrogen phosphate
A1H17
A1H17
Name:5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane
Formula:C16 H15 Cl2 N3 O4 S
SMILES:CN(C)C(=O)c1oc(cc1C)[S](=O)(=O)Nc2ccc(Cl)c3c(Cl)c[nH]c23
InChi:InChI=1S/C16H15Cl2N3O4S/c1-8-6-12(25-15(8)16(22)21(2)3)26(23,24)20-11-5-4-9(17)13-10(18)7-19-14(11)13/h4-7,19-20H,1-3H3
Definition date:2024-01-15
Last modified:2024-05-14
Release date:2024-04-03
Identifier:5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide

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