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A1AAY

A1AAY
Name:	{3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
Formula:	C28 H26 N4 O
SMILES:	CN(C)C1CCN(C1)C(=O)c1cc2c(cc1)[NH]nc2C#Cc1ccccc1c1ccccc1
InChi:	InChI=1S/C28H26N4O/c1-31(2)23-16-17-32(19-23)28(33)22-13-15-27-25(18-22)26(29-30-27)14-12-21-10-6-7-11-24(21)20-8-4-3-5-9-20/h3-11,13,15,18,23H,16-17,19H2,1-2H3,(H,29,30)/t23-/m1/s1
Definition date:	2024-01-02
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	{3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone

A1ADC

A1ADC
Name:	[2-chloranyl-4-[[[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]-fluoranyl-oxidanylidene-$l^{5}-sulfanyl]amino]phenyl]-[(2~{S})-2-phenylmorpholin-4-yl]methanone
Formula:	C23 H28 Cl F N4 O3 S
SMILES:	O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl
InChi:	InChI=1S/C23H28ClFN4O3S/c1-27(2)19-10-11-29(15-19)33(25,31)26-18-8-9-20(21(24)14-18)23(30)28-12-13-32-22(16-28)17-6-4-3-5-7-17/h3-9,14,19,22H,10-13,15-16H2,1-2H3/t19-,22+,33+/m0/s1
Definition date:	2024-01-19
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	(S~1~S,3S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride

A1ADU

A1ADU
Name:	(S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride
Formula:	C23 H27 Cl2 F N4 O3 S
SMILES:	O=C(N1CC(OCC1)c1ccccc1)c1c(Cl)cc(N=S(F)(=O)N2CCC(C2)N(C)C)cc1Cl
InChi:	InChI=1S/C23H27Cl2FN4O3S/c1-28(2)18-8-9-30(14-18)34(26,32)27-17-12-19(24)22(20(25)13-17)23(31)29-10-11-33-21(15-29)16-6-4-3-5-7-16/h3-7,12-13,18,21H,8-11,14-15H2,1-2H3/t18-,21-,34-/m1/s1
Definition date:	2024-01-29
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	(S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride

A1AIV

A1AIV
Name:	4-aminobutanenitrile
Formula:	C4 H8 N2
SMILES:	N#CCCCN
InChi:	InChI=1S/C4H8N2/c5-3-1-2-4-6/h1-3,5H2
Definition date:	2024-03-25
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	4-aminobutanenitrile

XSR

XSR
Name:	1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium
Formula:	C39 H47 F3 N3 O5 Si
SMILES:	O=C(O)c1c(F)c(F)c(C(=O)NCCOCCOCCCCCC)c(F)c1C=1c2ccc(cc2[Si](C)(C)C2=CC(C=CC=12)=[N+]1/CCC1)N1CCC1
InChi:	InChI=1S/C39H46F3N3O5Si/c1-4-5-6-7-19-49-21-22-50-20-14-43-38(46)34-35(40)32(33(39(47)48)36(41)37(34)42)31-27-12-10-25(44-15-8-16-44)23-29(27)51(2,3)30-24-26(11-13-28(30)31)45-17-9-18-45/h10-13,23-24H,4-9,14-22H2,1-3H3,(H-,43,46,47,48)/p+1
Definition date:	2023-11-09
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium

FIE

FIE
Name:	(S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride
Formula:	C24 H22 Cl F N4 O3 S
SMILES:	O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(F)(=O)N2Cc3cccnc3C2)cc1Cl
InChi:	InChI=1S/C24H22ClFN4O3S/c25-21-13-19(28-34(26,32)30-14-18-7-4-10-27-22(18)15-30)8-9-20(21)24(31)29-11-12-33-23(16-29)17-5-2-1-3-6-17/h1-10,13,23H,11-12,14-16H2/t23-,34-/m1/s1
Definition date:	2023-04-07
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	(S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride

26X

26X
Name:	1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide
Formula:	C27 H27 N7 O2
SMILES:	CCC(=O)N1CC(C1)n2cc(c3ccncc3)c(n2)c4cccc(NC(=O)c5cn(cn5)C6CC6)c4
InChi:	InChI=1S/C27H27N7O2/c1-2-25(35)32-13-22(14-32)34-15-23(18-8-10-28-11-9-18)26(31-34)19-4-3-5-20(12-19)30-27(36)24-16-33(17-29-24)21-6-7-21/h3-5,8-12,15-17,21-22H,2,6-7,13-14H2,1H3,(H,30,36)
Definition date:	2023-07-11
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide

A1H8G

A1H8G
Name:	ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
Formula:	C30 H36 N4 O5
SMILES:	CCOC(=O)C1=C(OC)N=C2[CH](CCCN2C1=O)N([CH](C)c3ccccc3)C(=O)Nc4ccccc4C(C)C
InChi:	InChI=1S/C30H36N4O5/c1-6-39-29(36)25-27(38-5)32-26-24(17-12-18-33(26)28(25)35)34(20(4)21-13-8-7-9-14-21)30(37)31-23-16-11-10-15-22(23)19(2)3/h7-11,13-16,19-20,24H,6,12,17-18H2,1-5H3,(H,31,37)
Definition date:	2024-04-16
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate

A1L0G

A1L0G
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate
Formula:	C20 H22 N8 O7 S
SMILES:	N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4cccc(c4)C#N
InChi:	InChI=1S/C20H22N8O7S/c21-6-10-2-1-3-11(4-10)12(22)5-14(29)27-36(32,33)34-7-13-16(30)17(31)20(35-13)28-9-26-15-18(23)24-8-25-19(15)28/h1-4,8-9,12-13,16-17,20,30-31H,5,7,22H2,(H,27,29)(H2,23,24,25)/t12-,13+,16+,17+,20+/m0/s1
Definition date:	2024-04-12
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate

A1L0H

A1L0H
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate
Formula:	C19 H22 Br N7 O7 S
SMILES:	N[CH](CC(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4ccccc4Br
InChi:	InChI=1S/C19H22BrN7O7S/c20-10-4-2-1-3-9(10)11(21)5-13(28)26-35(31,32)33-6-12-15(29)16(30)19(34-12)27-8-25-14-17(22)23-7-24-18(14)27/h1-4,7-8,11-12,15-16,19,29-30H,5-6,21H2,(H,26,28)(H2,22,23,24)/t11-,12+,15+,16+,19+/m0/s1
Definition date:	2024-04-12
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate

A1LY4

A1LY4
Name:	4-(1H-imidazol-5-ylmethyl)piperidine
Formula:	C9 H15 N3
SMILES:	C1CC(CCN1)Cc2[nH]cnc2
InChi:	InChI=1S/C9H15N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h6-8,10H,1-5H2,(H,11,12)
Definition date:	2024-03-12
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	4-(1~{H}-imidazol-5-ylmethyl)piperidine

A1LYO

A1LYO
Name:	(1^2Z,4^2Z,11^2Z,14^2Z,22^2Z,25^2Z,32^2Z,35^2Z,19R,40R)-1^1,4^1,11^1,14^1,22^1,25^1,32^1,35^1-octamethyl-2,5,9,12,15,20,23,26,30,33,36,41-dodecaoxo-1^1H,4^1H,11^1H,14^1H,22^1H,25^1H,32^1H,35^1H-3,6,10,13,16,21,24,27,31,34,37,42-dodecaaza-1(2,4),11,22,32(4,2)-tetraimidazola-4,14,25,35(4,2)-tetrapyrrolacyclodotetracontaphane-19,40-diaminium
Formula:	C58 H70 N26 O12
SMILES:	Cn1cc2NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nc(NC(=O)[CH](N)CCNC(=O)c6cc(NC(=O)c7nc(NC(=O)CCNC(=O)c8cc(NC(=O)c9nc(NC(=O)[CH](N)CCNC(=O)c1c2)cn9C)cn8C)cn7C)cn6C)cn5C)cn4C)cn3C
InChi:	InChI=1S/C58H70N26O12/c1-77-21-29-17-35(77)51(89)61-13-9-33(59)49(87)75-41-27-83(7)47(73-41)57(95)67-31-19-38(80(4)23-31)54(92)64-16-12-44(86)70-40-26-82(6)46(72-40)56(94)66-30-18-36(78(2)22-30)52(90)62-14-10-34(60)50(88)76-42-28-84(8)48(74-42)58(96)68-32-20-37(79(3)24-32)53(91)63-15-11-43(85)69-39-25-81(5)45(71-39)55(93)65-29/h17-28,33-34H,9-16,59-60H2,1-8H3,(H,61,89)(H,62,90)(H,63,91)(H,64,92)(H,65,93)(H,66,94)(H,67,95)(H,68,96)(H,69,85)(H,70,86)(H,75,87)(H,76,88)/t33-,34-/m1/s1
Definition date:	2024-02-27
Last modified:	2024-05-31
Release date:	2024-06-05

E2Y

E2Y
Name:	(R)-2-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)-2-hydroxyacetonitrile
Formula:	C12 H13 N O3
SMILES:	CC1(C)OCc2cc(ccc2O1)[CH](O)C#N
InChi:	InChI=1S/C12H13NO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5,10,14H,7H2,1-2H3/t10-/m0/s1
Synonyms:	(R)-alpha-Hydroxy-2,2-dimethyl-4H-1,3-benzodioxin-6-acetonitrile
Definition date:	2023-06-09
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	(2~{R})-2-(2,2-dimethyl-4~{H}-1,3-benzodioxin-6-yl)-2-oxidanyl-ethanenitrile

68X

68X
Name:	(2~{Z},9~{E})-~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]hexadeca-2,9-dienamide
Formula:	C22 H39 N O6
SMILES:	CCCCCCC=CCCCCCC=CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
InChi:	InChI=1S/C22H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(25)23-19-21(27)20(26)17(16-24)29-22(19)28/h7-8,14-15,17,19-22,24,26-28H,2-6,9-13,16H2,1H3,(H,23,25)/b8-7+,15-14-/t17-,19-,20+,21+,22+/m0/s1
Definition date:	2023-01-12
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	(2~{Z},9~{E})-~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]hexadeca-2,9-dienamide

FQ3

FQ3
Name:	2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde
Formula:	C11 H12 O3
SMILES:	CC1(C)OCc2cc(C=O)ccc2O1
InChi:	InChI=1S/C11H12O3/c1-11(2)13-7-9-5-8(6-12)3-4-10(9)14-11/h3-6H,7H2,1-2H3
Synonyms:	2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde
Definition date:	2020-06-12
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	2,2-dimethyl-4~{H}-1,3-benzodioxine-6-carbaldehyde

FQ9

FQ9
Name:	(2S)-2-methyl-4H-1,3-benzodioxine-6-carbaldehyde
Formula:	C10 H10 O3
SMILES:	C[CH]1OCc2cc(C=O)ccc2O1
InChi:	InChI=1S/C10H10O3/c1-7-12-6-9-4-8(5-11)2-3-10(9)13-7/h2-5,7H,6H2,1H3/t7-/m0/s1
Synonyms:	(2S)-2-methyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde
Definition date:	2020-06-12
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	(2~{S})-2-methyl-4~{H}-1,3-benzodioxine-6-carbaldehyde

QT1

QT1
Name:	~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Formula:	C26 H20 N8 O
SMILES:	Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C#N)nc(nc12)c5cccnc5
InChi:	InChI=1S/C26H20N8O/c1-16-8-9-18(26(35)30-20-7-3-5-17(11-20)13-27)12-22(16)31-24-21-15-29-34(2)25(21)33-23(32-24)19-6-4-10-28-14-19/h3-12,14-15H,1-2H3,(H,30,35)(H,31,32,33)
Definition date:	2022-11-14
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	~{N}-(3-cyanophenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

9S2

9S2
Name:	(2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name)
Formula:	C30 H38 N15 O19 P3
SMILES:	Nc1ncnc2c1ncn2C1OC(CO)C(OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(OP(=O)(O)O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C1O
InChi:	InChI=1S/C30H38N15O19P3/c31-22-13-25(37-4-34-22)43(7-40-13)28-17(48)16(47)11(60-28)2-57-67(55,56)64-20-12(61-30(21(20)62-65(50,51)52)45-9-42-15-24(33)36-6-39-27(15)45)3-58-66(53,54)63-19-10(1-46)59-29(18(19)49)44-8-41-14-23(32)35-5-38-26(14)44/h4-12,16-21,28-30,46-49H,1-3H2,(H,53,54)(H,55,56)(H2,31,34,37)(H2,32,35,38)(H2,33,36,39)(H2,50,51,52)/t10-,11-,12-,16-,17-,18+,19?,20-,21-,28+,29-,30?/m1/s1
Definition date:	2023-07-14
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	(2S,3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-4-{[(S)-{[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-({[(S)-{[(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl]oxy}methyl)oxolan-3-yl dihydrogen phosphate (non-preferred name)

SV9

SV9
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
Formula:	C48 H51 N9 O16 P2
SMILES:	Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C(=O)CCc7ccc(cc7)c8cccc(c8)c9ccccc9)c2cc1C)C(=O)NC(=O)N6
InChi:	InChI=1S/C48H51N9O16P2/c1-25-17-32-33(18-26(25)2)57(37(60)16-13-27-11-14-29(15-12-27)31-10-6-9-30(19-31)28-7-4-3-5-8-28)39-45(53-48(65)54-46(39)64)55(32)20-34(58)40(61)35(59)21-70-74(66,67)73-75(68,69)71-22-36-41(62)42(63)47(72-36)56-24-52-38-43(49)50-23-51-44(38)56/h3-12,14-15,17-19,23-24,34-36,40-42,47,58-59,61-63H,13,16,20-22H2,1-2H3,(H,66,67)(H,68,69)(H2,49,50,51)(H2,53,54,64,65)/t34-,35+,36+,40-,41+,42+,47+/m0/s1
Definition date:	2022-12-19
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate

Q2B

Q2B
Name:	3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole
Formula:	C20 H16 N2 O3
SMILES:	[O-][N+](=O)C[CH](c1occc1)c2c([nH]c3ccccc23)c4ccccc4
InChi:	InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2/t16-/m0/s1
Definition date:	2023-03-13
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	3-[(1~{S})-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole

Q2L

Q2L
Name:	3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole
Formula:	C23 H20 N2 O3
SMILES:	COc1ccccc1[CH](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4
InChi:	InChI=1S/C23H20N2O3/c1-28-21-14-8-6-11-17(21)19(15-25(26)27)22-18-12-5-7-13-20(18)24-23(22)16-9-3-2-4-10-16/h2-14,19,24H,15H2,1H3/t19-/m0/s1
Definition date:	2023-03-13
Last modified:	2024-05-31
Release date:	2024-06-05
Identifier:	3-[(1~{R})-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole

YPK

YPK
Name:	[(3S)-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
Formula:	C26 H41 N7 O3
SMILES:	CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[CH]4CCN(C4)C(=O)CCCN(C)C)cc(C)nc12
InChi:	InChI=1S/C26H41N7O3/c1-18(2)22-16-27-33-23(15-19(3)28-25(22)33)29-20-8-12-31(13-9-20)26(35)36-21-10-14-32(17-21)24(34)7-6-11-30(4)5/h15-16,18,20-21,29H,6-14,17H2,1-5H3/t21-/m0/s1
Synonyms:	HYDROXYETHYLAMINE BACE INHIBITOR
Definition date:	2023-12-08
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	[(3~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-3-yl] 4-[(5-methyl-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate

YEQ

YEQ
Name:	4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol
Formula:	C17 H21 N3 O
SMILES:	CC(c1ncccn1)N1CCCC(C1)c1ccc(O)cc1
InChi:	InChI=1S/C17H21N3O/c1-13(17-18-9-3-10-19-17)20-11-2-4-15(12-20)14-5-7-16(21)8-6-14/h3,5-10,13,15,21H,2,4,11-12H2,1H3/t13-,15+/m1/s1
Definition date:	2023-12-04
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol

V7U

V7U
Name:	2,4-dinitroaniline
Formula:	C6 H5 N3 O4
SMILES:	Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
InChi:	InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
Definition date:	2023-07-10
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	2,4-dinitroaniline

V8C

V8C
Name:	5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate
Formula:	C25 H23 N3 O4
SMILES:	CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C([O-])=O)C(N)=O)=[N+](C)C)c1
InChi:	InChI=1S/C25H23N3O4/c1-27(2)15-6-9-18-21(12-15)32-22-13-16(28(3)4)7-10-19(22)23(18)17-8-5-14(24(26)29)11-20(17)25(30)31/h5-13H,1-4H3,(H2-,26,29,30,31)
Definition date:	2023-07-10
Last modified:	2024-05-24
Release date:	2024-05-29
Identifier:	5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate

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