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A1CEV

A1CEV
Name:	2-[(9R)-1'-[(1,3-benzoxazol-2-yl)acetyl]-2-(morpholin-4-yl)-8-oxo-5,8-dihydro-4H-spiro[furo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4-yl]-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
Formula:	C33 H30 Cl F3 N8 O6
SMILES:	FC(F)(F)c1ccc(NC(=O)CN2c3nc(nn3C(=O)C3=C2COC23CCN(CC2)C(=O)Cc2nc3ccccc3o2)N2CCOCC2)c(Cl)c1
InChi:	InChI=1S/C33H30ClF3N8O6/c34-20-15-19(33(35,36)37)5-6-21(20)38-25(46)17-44-23-18-50-32(28(23)29(48)45-31(44)40-30(41-45)43-11-13-49-14-12-43)7-9-42(10-8-32)27(47)16-26-39-22-3-1-2-4-24(22)51-26/h1-6,15H,7-14,16-18H2,(H,38,46)
Definition date:	2025-06-03
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	2-[(9R)-1'-[(1,3-benzoxazol-2-yl)acetyl]-2-(morpholin-4-yl)-8-oxo-5,8-dihydro-4H-spiro[furo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4-yl]-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide

A1CEY

A1CEY
Name:	N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(5S,9R)-1'-(3-hydroxypyridine-2-carbonyl)-5-methyl-2-(morpholin-4-yl)-8-oxo-5,8-dihydrospiro[cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4(6H)-yl]acetamide
Formula:	C32 H32 Cl F3 N8 O5
SMILES:	FC(F)(F)c1ccc(NC(=O)CN2C=3C(C)CC4(CCN(CC4)C(=O)c4ncccc4O)C=3C(=O)n3nc(nc32)N2CCOCC2)c(Cl)c1
InChi:	InChI=1S/C32H32ClF3N8O5/c1-18-16-31(6-9-41(10-7-31)28(48)25-22(45)3-2-8-37-25)24-26(18)43(17-23(46)38-21-5-4-19(15-20(21)33)32(34,35)36)30-39-29(40-44(30)27(24)47)42-11-13-49-14-12-42/h2-5,8,15,18,45H,6-7,9-14,16-17H2,1H3,(H,38,46)/t18-/m0/s1
Definition date:	2025-06-03
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(5S,9R)-1'-(3-hydroxypyridine-2-carbonyl)-5-methyl-2-(morpholin-4-yl)-8-oxo-5,8-dihydrospiro[cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4(6H)-yl]acetamide

A1CEZ

A1CEZ
Name:	N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(9R)-1'-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2-(morpholin-4-yl)-8-oxo-5,8-dihydrospiro[cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4(6H)-yl]acetamide
Formula:	C31 H31 Cl F3 N9 O5
SMILES:	FC(F)(F)c1ccc(NC(=O)CN2C=3CCC4(CCN(CC4)C(=O)c4ncnc(C)c4O)C=3C(=O)n3nc(nc32)N2CCOCC2)c(Cl)c1
InChi:	InChI=1S/C31H31ClF3N9O5/c1-17-25(46)24(37-16-36-17)27(48)41-8-6-30(7-9-41)5-4-21-23(30)26(47)44-29(39-28(40-44)42-10-12-49-13-11-42)43(21)15-22(45)38-20-3-2-18(14-19(20)32)31(33,34)35/h2-3,14,16,46H,4-13,15H2,1H3,(H,38,45)
Definition date:	2025-06-03
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[(9R)-1'-(5-hydroxy-6-methylpyrimidine-4-carbonyl)-2-(morpholin-4-yl)-8-oxo-5,8-dihydrospiro[cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidine-7,4'-piperidin]-4(6H)-yl]acetamide

A1CH2

A1CH2
Name:	(4S)-7-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-methyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Formula:	C21 H21 F2 N5 O3
SMILES:	FC1(F)CCN(CC1)C(=O)c1ccc2c(c1)OCCN2C1=CC2=NN(C)C(=O)N2C=C1
InChi:	InChI=1S/C21H21F2N5O3/c1-25-20(30)28-7-4-15(13-18(28)24-25)27-10-11-31-17-12-14(2-3-16(17)27)19(29)26-8-5-21(22,23)6-9-26/h2-4,7,12-13H,5-6,8-11H2,1H3
Definition date:	2025-07-07
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	(4S)-7-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-methyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one

A1CHN

A1CHN
Name:	(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
Formula:	C15 H16 F6 N4 O2 S
SMILES:	FC(F)(F)CCC1CC(=O)N(C1)Cc1c(nc2sc(COC)nn12)C(F)(F)F
InChi:	InChI=1S/C15H16F6N4O2S/c1-27-7-10-23-25-9(12(15(19,20)21)22-13(25)28-10)6-24-5-8(4-11(24)26)2-3-14(16,17)18/h8H,2-7H2,1H3/t8-/m0/s1
Definition date:	2025-06-30
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	(4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one

A1CHO

A1CHO
Name:	(1S,2R,3S,5R)-3-{2-[2-amino-6-(2-hydroxyethyl)quinolin-7-yl]ethyl}-5-(7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
Formula:	C24 H27 N5 O3
SMILES:	Nc1nc2cc(CCC3CC(C(O)C3O)n3ccc4cncnc43)c(CCO)cc2cc1
InChi:	InChI=1S/C24H27N5O3/c25-21-4-3-16-9-15(6-8-30)14(10-19(16)28-21)1-2-17-11-20(23(32)22(17)31)29-7-5-18-12-26-13-27-24(18)29/h3-5,7,9-10,12-13,17,20,22-23,30-32H,1-2,6,8,11H2,(H2,25,28)/t17-,20+,22+,23-/m0/s1
Definition date:	2025-06-30
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	(1S,2R,3S,5R)-3-{2-[2-amino-6-(2-hydroxyethyl)quinolin-7-yl]ethyl}-5-(7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

A1CN6

A1CN6
Name:	6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C20 H25 F2 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCCCC2)cc(F)c1F
InChi:	InChI=1S/C20H25F2N3O/c1-14-9-16(24-19(23)10-14)13-26-18-12-15(11-17(21)20(18)22)5-8-25-6-3-2-4-7-25/h9-12H,2-8,13H2,1H3,(H2,23,24)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine

A1CN7

A1CN7
Name:	6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C18 H20 F3 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CC(F)C2)cc(F)c1F
InChi:	InChI=1S/C18H20F3N3O/c1-11-4-14(23-17(22)5-11)10-25-16-7-12(6-15(20)18(16)21)2-3-24-8-13(19)9-24/h4-7,13H,2-3,8-10H2,1H3,(H2,22,23)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine

A1CN8

A1CN8
Name:	6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C20 H24 F3 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)CC2)cc(F)c1F
InChi:	InChI=1S/C20H24F3N3O/c1-13-8-16(25-19(24)9-13)12-27-18-11-14(10-17(22)20(18)23)2-5-26-6-3-15(21)4-7-26/h8-11,15H,2-7,12H2,1H3,(H2,24,25)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine

A1CN9

A1CN9
Name:	6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C20 H23 F4 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)(F)CC2)cc(F)c1F
InChi:	InChI=1S/C20H23F4N3O/c1-13-8-15(26-18(25)9-13)12-28-17-11-14(10-16(21)19(17)22)2-5-27-6-3-20(23,24)4-7-27/h8-11H,2-7,12H2,1H3,(H2,25,26)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine

A1COA

A1COA
Name:	6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine
Formula:	C19 H25 F2 N3 O
SMILES:	Cc1cc(COc2cc(CCN(CC)CC)cc(F)c2F)nc(N)c1
InChi:	InChI=1S/C19H25F2N3O/c1-4-24(5-2)7-6-14-10-16(20)19(21)17(11-14)25-12-15-8-13(3)9-18(22)23-15/h8-11H,4-7,12H2,1-3H3,(H2,22,23)
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine

A1COK

A1COK
Name:	6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine
Formula:	C20 H24 F3 N3 O
SMILES:	Cc1cc(nc(N)c1)COc1cc(CCN2CCCC(F)C2)cc(F)c1F
InChi:	InChI=1S/C20H24F3N3O/c1-13-7-16(25-19(24)8-13)12-27-18-10-14(9-17(22)20(18)23)4-6-26-5-2-3-15(21)11-26/h7-10,15H,2-6,11-12H2,1H3,(H2,24,25)/t15-/m0/s1
Definition date:	2025-08-21
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine

A1I71

A1I71
Name:	~{N}-(3-nitropyridin-2-yl)isoquinolin-3-amine
Formula:	C18 H15 N6 O2
SMILES:	Cn1cc(cn1)c2cccc3cnc(Nc4ncccc4[N+](O)=O)cc23
InChi:	InChI=1S/C18H15N6O2/c1-23-11-13(10-21-23)14-5-2-4-12-9-20-17(8-15(12)14)22-18-16(24(25)26)6-3-7-19-18/h2-11H,1H3,(H,25,26)(H,19,20,22)/q+1
Definition date:	2025-03-25
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	[2-[[5-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]pyridin-3-yl]-oxidanyl-oxidanylidene-azanium

R3U

R3U
Name:	(4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide
Formula:	C33 H47 F4 N O6 S
SMILES:	CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCC(=O)N[S](=O)(=O)c4ccc(OC(F)(F)F)cc4)[C]3(C)CC[CH]2[C]5(C)CC[CH](O)[CH](F)[CH]15
InChi:	InChI=1S/C33H47F4NO6S/c1-5-21-28-29(34)25(39)15-17-32(28,4)24-14-16-31(3)22(11-12-23(31)27(24)30(21)41)18(2)6-13-26(40)38-45(42,43)20-9-7-19(8-10-20)44-33(35,36)37/h7-10,18,21-25,27-30,39,41H,5-6,11-17H2,1-4H3,(H,38,40)/t18-,21-,22-,23-,24+,25-,27+,28-,29+,30-,31-,32-/m1/s1
Definition date:	2022-11-23
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	(4~{R})-4-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{R},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-~{N}-[4-(trifluoromethyloxy)phenyl]sulfonyl-pentanamide

RJC

RJC
Name:	1-[(3R)-3-[(3R,4R,5S,6R,7R,8S,9S,10R,13R,14S,17R)-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea
Formula:	C32 H49 F N2 O5 S
SMILES:	CC[CH]1[CH](O)[CH]2[CH]3CC[CH]([CH](C)CCNC(=O)N[S](=O)(=O)c4ccccc4)[C]3(C)CC[CH]2[C]5(C)CC[CH](O)[CH](F)[CH]15
InChi:	InChI=1S/C32H49FN2O5S/c1-5-21-27-28(33)25(36)14-17-32(27,4)24-13-16-31(3)22(11-12-23(31)26(24)29(21)37)19(2)15-18-34-30(38)35-41(39,40)20-9-7-6-8-10-20/h6-10,19,21-29,36-37H,5,11-18H2,1-4H3,(H2,34,35,38)/t19-,21-,22-,23+,24+,25-,26+,27-,28+,29-,31-,32-/m1/s1
Definition date:	2022-11-30
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	1-[(3~{R})-3-[(3~{R},4~{R},5~{S},6~{R},7~{R},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-6-ethyl-4-fluoranyl-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]butyl]-3-(phenylsulfonyl)urea

A1IMP

A1IMP
Name:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(1,1,3,3-tetramethyl-2-oxidanyl-isoindol-5-yl)oxy-purine-2,6-dione
Formula:	C28 H32 Cl N5 O5
SMILES:	CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4ccc5c(c4)C(C)(C)N(O)C5(C)C)nc12
InChi:	InChI=1S/C28H32ClN5O5/c1-27(2)20-12-11-19(15-21(20)28(3,4)34(27)38)39-25-30-23-22(33(25)16-17-7-9-18(29)10-8-17)24(36)32(13-6-14-35)26(37)31(23)5/h7-12,15,35,38H,6,13-14,16H2,1-5H3
Definition date:	2024-08-27
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)-8-(1,1,3,3-tetramethyl-2-oxidanyl-isoindol-5-yl)oxy-purine-2,6-dione

A1JL5

A1JL5
Name:	(S)-N-(1-(5-((2-amino-2-oxoethyl)thio)-4-(4-(tert-Butyl)phenyl)-4H-1,2,4-triazol-3-yl)-2-(3,5-difluorophenyl)ethyl)-2-(5-hydroxy-1H-indol-3-yl)acetamide
Formula:	C31 H31 F2 N5 O2 S
SMILES:	CSc1nnc([CH](Cc2cc(F)cc(F)c2)NC(=O)Cc3c[nH]c4ccc(O)cc34)n1c5ccc(cc5)C(C)(C)C
InChi:	InChI=1S/C31H31F2N5O2S/c1-31(2,3)20-5-7-23(8-6-20)38-29(36-37-30(38)41-4)27(13-18-11-21(32)15-22(33)12-18)35-28(40)14-19-17-34-26-10-9-24(39)16-25(19)26/h5-12,15-17,27,34,39H,13-14H2,1-4H3,(H,35,40)/t27-/m0/s1
Synonyms:	~{N}-[(1~{S})-2-[3,5-bis(fluoranyl)phenyl]-1-[4-(4-~{tert}-butylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-2-(5-oxidanyl-1~{H}-indol-3-yl)ethanamide
Definition date:	2025-08-04
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	~{N}-[(1~{S})-2-[3,5-bis(fluoranyl)phenyl]-1-[4-(4-~{tert}-butylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]ethyl]-2-(5-oxidanyl-1~{H}-indol-3-yl)ethanamide

A1JMH

A1JMH
Name:	28-homobrassinolide
Formula:	C29 H50 O6
SMILES:	CC[CH](C(C)C)[CH](O)[CH](O)[CH](C)[CH]1CC[CH]2[CH]3COC(=O)[CH]4C[CH](O)[CH](O)C[C]4(C)[CH]3CC[C]12C
InChi:	InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22-,23-,24+,25+,26+,28+,29+/m0/s1
Definition date:	2025-08-06
Last modified:	2025-09-05
Release date:	2025-09-10

A1L1D

A1L1D
Name:	C1R
Formula:	C26 H27 N3 O4
SMILES:	CCCCOc1ccc(cc1)C(=O)NN2[CH](Nc3ccccc3C2=O)c4ccc(OC)cc4
InChi:	InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)/t24-/m1/s1
Synonyms:	4-butoxy-~{N}-[(2~{R})-2-(4-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide
Definition date:	2024-04-30
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	4-butoxy-~{N}-[(2~{R})-2-(4-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide

A1A1R

A1A1R
Name:	(8P)-3-(2,6-dichlorophenyl)-1-methyl-8-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-1,2,3,7-tetrahydro-4H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-4-one
Formula:	C25 H25 Cl2 N7 O
SMILES:	Clc1cccc(Cl)c1N1CN(C)c2c3cc([NH]c3ncc2C1=O)c1cn(nc1)C1CCN(C)CC1
InChi:	InChI=1S/C25H25Cl2N7O/c1-31-8-6-16(7-9-31)34-13-15(11-29-34)21-10-17-22-18(12-28-24(17)30-21)25(35)33(14-32(22)2)23-19(26)4-3-5-20(23)27/h3-5,10-13,16H,6-9,14H2,1-2H3,(H,28,30)
Definition date:	2024-08-13
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	(8P)-3-(2,6-dichlorophenyl)-1-methyl-8-[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]-1,2,3,7-tetrahydro-4H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-4-one

A1A1T

A1A1T
Name:	7-methyl-2-{[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]amino}-6-[(1R)-1-(thiophen-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C23 H26 N8 S
SMILES:	CC(c1n(C)c2nc(Nc3cn(nc3)C3CCN(C)CC3)ncc2c1C#N)c1cccs1
InChi:	InChI=1S/C23H26N8S/c1-15(20-5-4-10-32-20)21-18(11-24)19-13-25-23(28-22(19)30(21)3)27-16-12-26-31(14-16)17-6-8-29(2)9-7-17/h4-5,10,12-15,17H,6-9H2,1-3H3,(H,25,27,28)/t15-/m0/s1
Definition date:	2024-08-13
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	7-methyl-2-{[1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]amino}-6-[(1R)-1-(thiophen-2-yl)ethyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

A1A4Q

A1A4Q
Name:	Cladoniamide A
Formula:	C22 H16 Cl N3 O5
SMILES:	Clc1ccc2[NH]c3c4c(OC)c5ccccc5n4C4(O)C(=O)N(C)C(=O)C4(O)c3c2c1
InChi:	InChI=1S/C22H16ClN3O5/c1-25-19(27)21(29)15-12-9-10(23)7-8-13(12)24-16(15)17-18(31-2)11-5-3-4-6-14(11)26(17)22(21,30)20(25)28/h3-9,24,29-30H,1-2H3/t21-,22+/m1/s1
Definition date:	2024-09-04
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	(5R,5aR,8aS)-10-chloro-5a,8a-dihydroxy-14-methoxy-7-methyl-8a,13-dihydrobenzo[2,3]pyrrolo[3',4':5,6]indolizino[8,7-b]indole-6,8(5aH,7H)-dione (non-preferred name)

A1BTU

A1BTU
Name:	5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile
Formula:	C23 H17 N3 O3 S
SMILES:	N#Cc1ccc2c(c1)cccc2Oc1ccccc1OCCN1C=CC(=S)NC1=O
InChi:	InChI=1S/C23H17N3O3S/c24-15-16-8-9-18-17(14-16)4-3-7-19(18)29-21-6-2-1-5-20(21)28-13-12-26-11-10-22(30)25-23(26)27/h1-11,14H,12-13H2,(H,25,27,30)
Definition date:	2025-01-20
Last modified:	2025-09-05
Release date:	2025-09-10
Identifier:	5-{2-[2-(2-oxo-4-sulfanylidene-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}naphthalene-2-carbonitrile

A1EOF

A1EOF
Name:	[3-(phenylmethyl)imidazol-4-yl]methanimine
Formula:	C11 H11 N3
SMILES:	N=Cc1cncn1Cc2ccccc2
InChi:	InChI=1S/C11H11N3/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-7,9,12H,8H2/b12-6+
Definition date:	2025-04-01
Last modified:	2025-09-03
Release date:	2025-09-03
Identifier:	[3-(phenylmethyl)imidazol-4-yl]methanimine

U73

U73
Name:	N-(5-ISOPROPYL-THIAZOL-2-YL)-2-PYRIDIN-3-YL-ACETAMIDE
Formula:	C13 H15 N3 O S
SMILES:	O=C(N=C1/SC(=CN1)C(C)C)Cc2cccnc2
InChi:	InChI=1S/C13H15N3OS/c1-9(2)11-8-15-13(18-11)16-12(17)6-10-4-3-5-14-7-10/h3-5,7-9H,6H2,1-2H3,(H,15,16,17)
Definition date:	2005-06-06
Last modified:	2025-09-01
Identifier:	N-[(2Z)-5-(1-methylethyl)-1,3-thiazol-2(3H)-ylidene]-2-pyridin-3-ylacetamide

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