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A1BU8

A1BU8
Name:	3-(4-methylpiperazin-1-yl)-5-(pyridin-4-yl)pyridazine
Formula:	C14 H17 N5
SMILES:	CN1CCN(CC1)c1nncc(c1)c1ccncc1
InChi:	InChI=1S/C14H17N5/c1-18-6-8-19(9-7-18)14-10-13(11-16-17-14)12-2-4-15-5-3-12/h2-5,10-11H,6-9H2,1H3
Definition date:	2025-01-28
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	3-(4-methylpiperazin-1-yl)-5-(pyridin-4-yl)pyridazine

A1BUB

A1BUB
Name:	2-hydroxy-4-methylbenzoic acid
Formula:	C8 H8 O3
SMILES:	OC(=O)c1ccc(C)cc1O
InChi:	InChI=1S/C8H8O3/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,9H,1H3,(H,10,11)
Synonyms:	4-methyl salicylic acid
Definition date:	2025-01-22
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-hydroxy-4-methylbenzoic acid

A1BWS

A1BWS
Name:	(3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid
Formula:	C10 H18 N2 O5
SMILES:	O=C(O)CC(O)C(=O)NC(CC(C)C)C(N)=O
InChi:	InChI=1S/C10H18N2O5/c1-5(2)3-6(9(11)16)12-10(17)7(13)4-8(14)15/h5-7,13H,3-4H2,1-2H3,(H2,11,16)(H,12,17)(H,14,15)/t6-,7-/m0/s1
Definition date:	2025-02-14
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(3S)-4-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-hydroxy-4-oxobutanoic acid

A1BWT

A1BWT
Name:	(3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid
Formula:	C20 H29 N3 O6
SMILES:	O=C(O)CC(O)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCNC(C)=O
InChi:	InChI=1S/C20H29N3O6/c1-14(24)21-10-6-3-7-11-22-19(28)16(12-15-8-4-2-5-9-15)23-20(29)17(25)13-18(26)27/h2,4-5,8-9,16-17,25H,3,6-7,10-13H2,1H3,(H,21,24)(H,22,28)(H,23,29)(H,26,27)/t16-,17+/m0/s1
Definition date:	2025-02-14
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(3R)-4-({(2S)-1-[(5-acetamidopentyl)amino]-1-oxo-3-phenylpropan-2-yl}amino)-3-hydroxy-4-oxobutanoic acid

A1EBM

A1EBM
Name:	(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal
Formula:	C10 H18 O
SMILES:	CC(C)CC=C(C=O)C(C)C
InChi:	InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+
Definition date:	2024-09-06
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal

A1EBV

A1EBV
Name:	(3~{S})-3,7-dimethyloct-6-enal
Formula:	C10 H18 O
SMILES:	C[CH](CCC=C(C)C)CC=O
InChi:	InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
Synonyms:	(S)-(-)-Citronellal
Definition date:	2024-09-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(3~{S})-3,7-dimethyloct-6-enal

A1EKX

A1EKX
Name:	methyl 4-[[2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropen-1-ylmethoxy)phenyl]-6-oxidanyl-1-benzofuran-7-yl]oxy]-1~{H}-pyrrole-2-carboxylate
Formula:	C25 H19 F2 N O7
SMILES:	COC(=O)c1[nH]cc(Oc2c(O)ccc3cc(oc23)c4ccc(OC(F)F)c(OCC5=CC5)c4)c1
InChi:	InChI=1S/C25H19F2NO7/c1-31-24(30)17-10-16(11-28-17)33-23-18(29)6-4-15-9-20(34-22(15)23)14-5-7-19(35-25(26)27)21(8-14)32-12-13-2-3-13/h2,4-11,25,28-29H,3,12H2,1H3
Definition date:	2025-01-27
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl 4-[[2-[4-[bis(fluoranyl)methoxy]-3-(cyclopropen-1-ylmethoxy)phenyl]-6-oxidanyl-1-benzofuran-7-yl]oxy]-1~{H}-pyrrole-2-carboxylate

YAX

YAX
Name:	2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide
Formula:	C47 H51 Cl N10 O4 S
SMILES:	Cc1sc2n3c(C)nnc3[CH](CC(=O)NCCOCCOc4ccc5nc([nH]c5c4)[CH]6CC[CH](CC6)NC(=O)CNCc7[nH]c8ccccc8c7)N=C(c9ccc(Cl)cc9)c2c1C
InChi:	InChI=1S/C47H51ClN10O4S/c1-27-28(2)63-47-43(27)44(30-8-12-33(48)13-9-30)53-40(46-57-56-29(3)58(46)47)24-41(59)50-18-19-61-20-21-62-36-16-17-38-39(23-36)55-45(54-38)31-10-14-34(15-11-31)52-42(60)26-49-25-35-22-32-6-4-5-7-37(32)51-35/h4-9,12-13,16-17,22-23,31,34,40,49,51H,10-11,14-15,18-21,24-26H2,1-3H3,(H,50,59)(H,52,60)(H,54,55)/t31-,34+,40-/m0/s1
Definition date:	2023-11-28
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-~{N}-[2-[2-[[2-[4-[2-(1~{H}-indol-2-ylmethylamino)ethanoylamino]cyclohexyl]-3~{H}-benzimidazol-5-yl]oxy]ethoxy]ethyl]ethanamide

A1IQ0

A1IQ0
Name:	methyl (~{Z})-3-(4-ethynoxy-3,5-dimethoxy-phenyl)-2-methyl-prop-2-enoate
Formula:	C16 H18 O5
SMILES:	COC(=O)C(C)=Cc1cc(OC)c(OCC#C)c(OC)c1
InChi:	InChI=1S/C16H18O5/c1-6-7-21-15-13(18-3)9-12(10-14(15)19-4)8-11(2)16(17)20-5/h1,8-10H,7H2,2-5H3/b11-8-
Definition date:	2024-10-03
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl (~{Z})-3-(3,5-dimethoxy-4-prop-2-ynoxy-phenyl)-2-methyl-prop-2-enoate

A1IQ1

A1IQ1
Name:	methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate
Formula:	C13 H15 N O3
SMILES:	COC(=O)C(C)=Cc1ccc(NC(C)=O)cc1
InChi:	InChI=1S/C13H15NO3/c1-9(13(16)17-3)8-11-4-6-12(7-5-11)14-10(2)15/h4-8H,1-3H3,(H,14,15)/b9-8-
Definition date:	2024-10-03
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl (~{Z})-3-(4-acetamidophenyl)-2-methyl-prop-2-enoate

A1IQY

A1IQY
Name:	methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate
Formula:	C11 H11 N O4
SMILES:	COC(=O)C(C)=Cc1ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C11H11NO4/c1-8(11(13)16-2)7-9-3-5-10(6-4-9)12(14)15/h3-7H,1-2H3/b8-7-
Definition date:	2024-10-03
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl (~{Z})-2-methyl-3-(4-nitrophenyl)prop-2-enoate

A1IQZ

A1IQZ
Name:	methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate
Formula:	C13 H12 O2
SMILES:	COC(=O)C(C)=Cc1ccc(cc1)C#C
InChi:	InChI=1S/C13H12O2/c1-4-11-5-7-12(8-6-11)9-10(2)13(14)15-3/h1,5-9H,2-3H3/b10-9-
Definition date:	2024-10-03
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	methyl (~{Z})-3-(4-ethynylphenyl)-2-methyl-prop-2-enoate

YTL

YTL
Name:	(2~{S})-2-(2-azanylethanoyloxy)-3-(4-hydroxyphenyl)propanoic acid
Formula:	C11 H13 N O5
SMILES:	NCC(=O)O[CH](Cc1ccc(O)cc1)C(O)=O
InChi:	InChI=1S/C11H13NO5/c12-6-10(14)17-9(11(15)16)5-7-1-3-8(13)4-2-7/h1-4,9,13H,5-6,12H2,(H,15,16)/t9-/m0/s1
Definition date:	2023-02-21
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(2~{S})-2-(2-azanylethanoyloxy)-3-(4-hydroxyphenyl)propanoic acid

A1ARO

A1ARO
Name:	2-{3-[4-(methanesulfonyl)-2-methoxyanilino]prop-1-yn-1-yl}-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-amine
Formula:	C27 H31 F3 N4 O3 S
SMILES:	CN1CCC(Nc2cccc3n(CC(F)(F)F)c(C#CCNc4ccc(cc4OC)S(C)(=O)=O)cc23)CC1
InChi:	InChI=1S/C27H31F3N4O3S/c1-33-14-11-19(12-15-33)32-23-7-4-8-25-22(23)16-20(34(25)18-27(28,29)30)6-5-13-31-24-10-9-21(38(3,35)36)17-26(24)37-2/h4,7-10,16-17,19,31-32H,11-15,18H2,1-3H3
Definition date:	2024-05-13
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-{3-[4-(methanesulfonyl)-2-methoxyanilino]prop-1-yn-1-yl}-N-(1-methylpiperidin-4-yl)-1-(2,2,2-trifluoroethyl)-1H-indol-4-amine

A1H6A

A1H6A
Name:	adamantane-1-carboxylic acid
Formula:	C11 H16 O2
SMILES:	OC(=O)C12CC3CC(CC(C3)C1)C2
InChi:	InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11-
Definition date:	2024-03-14
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	adamantane-1-carboxylic acid

A1H7R

A1H7R
Name:	(2S)-1-(4-bromophenyl)propan-2-amine
Formula:	C9 H12 Br N
SMILES:	C[CH](N)Cc1ccc(Br)cc1
InChi:	InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
Synonyms:	N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)
Definition date:	2024-04-05
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(2~{S})-1-(4-bromophenyl)propan-2-amine

A1L7S

A1L7S
Name:	5-[(2~{S})-1-cyclohexylsulfonylpiperidin-2-yl]-3-[3-(3,4-dimethoxyphenyl)propyl]-1,2,4-oxadiazole
Formula:	C24 H35 N3 O5 S
SMILES:	COc1ccc(CCCc2noc(n2)[CH]3CCCCN3[S](=O)(=O)C4CCCCC4)cc1OC
InChi:	InChI=1S/C24H35N3O5S/c1-30-21-15-14-18(17-22(21)31-2)9-8-13-23-25-24(32-26-23)20-12-6-7-16-27(20)33(28,29)19-10-4-3-5-11-19/h14-15,17,19-20H,3-13,16H2,1-2H3/t20-/m0/s1
Definition date:	2025-02-21
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	5-[(2~{S})-1-cyclohexylsulfonylpiperidin-2-yl]-3-[3-(3,4-dimethoxyphenyl)propyl]-1,2,4-oxadiazole

A1L8M

A1L8M
Name:	[(2S)-1-oxidanyl-3-[(E)-tetradec-9-enoyl]oxy-propan-2-yl] (Z)-pentadec-9-enoate
Formula:	C32 H58 O5
SMILES:	CCCCCC=CCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCC
InChi:	InChI=1S/C32H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10-13,30,33H,3-9,14-29H2,1-2H3/b12-10+,13-11-/t30-/m0/s1
Definition date:	2025-03-07
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	[(2~{S})-1-oxidanyl-3-[(~{E})-tetradec-9-enoyl]oxy-propan-2-yl] (~{Z})-pentadec-9-enoate

A1AXA

A1AXA
Name:	{4-[(oxan-4-yl)oxy]phenyl}methanol
Formula:	C12 H16 O3
SMILES:	OCc1ccc(cc1)OC1CCOCC1
InChi:	InChI=1S/C12H16O3/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12-13H,5-9H2
Definition date:	2024-07-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	{4-[(oxan-4-yl)oxy]phenyl}methanol

A1AXB

A1AXB
Name:	N-(5-chloro-2-methoxyphenyl)thiourea
Formula:	C8 H9 Cl N2 O S
SMILES:	COc1ccc(Cl)cc1NC(N)=S
InChi:	InChI=1S/C8H9ClN2OS/c1-12-7-3-2-5(9)4-6(7)11-8(10)13/h2-4H,1H3,(H3,10,11,13)
Definition date:	2024-07-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-(5-chloro-2-methoxyphenyl)thiourea

A1AXE

A1AXE
Name:	1-methyl-1H-indole-6-carboxylic acid
Formula:	C10 H9 N O2
SMILES:	O=C(O)c1ccc2ccn(C)c2c1
InChi:	InChI=1S/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)
Definition date:	2024-07-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	1-methyl-1H-indole-6-carboxylic acid

A1AXF

A1AXF
Name:	1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine
Formula:	C10 H12 Cl F2 N3
SMILES:	FC(F)c1cc(ncc1Cl)N1CCNCC1
InChi:	InChI=1S/C10H12ClF2N3/c11-8-6-15-9(5-7(8)10(12)13)16-3-1-14-2-4-16/h5-6,10,14H,1-4H2
Definition date:	2024-07-10
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	1-[5-chloro-4-(difluoromethyl)pyridin-2-yl]piperazine

A1AXQ

A1AXQ
Name:	2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole
Formula:	C9 H7 Br N2 O
SMILES:	Cc1nnc(o1)c1cc(Br)ccc1
InChi:	InChI=1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole

A1AXR

A1AXR
Name:	[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid
Formula:	C12 H12 N2 O2
SMILES:	OC(=O)Cn1ccc(n1)c1ccc(C)cc1
InChi:	InChI=1S/C12H12N2O2/c1-9-2-4-10(5-3-9)11-6-7-14(13-11)8-12(15)16/h2-7H,8H2,1H3,(H,15,16)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	[3-(4-methylphenyl)-1H-pyrazol-1-yl]acetic acid

A1AXU

A1AXU
Name:	5-bromo-2-(1H-pyrazol-1-yl)pyrimidine
Formula:	C7 H5 Br N4
SMILES:	Brc1cnc(nc1)n1cccn1
InChi:	InChI=1S/C7H5BrN4/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	5-bromo-2-(1H-pyrazol-1-yl)pyrimidine

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