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A1EKZ

A1EKZ
Name:	(phenylmethyl) 1-but-3-enoxynaphthalene-2-carboxylate
Formula:	C22 H20 O3
SMILES:	C=CCCOc1c(ccc2ccccc12)C(=O)OCc3ccccc3
InChi:	InChI=1S/C22H20O3/c1-2-3-15-24-21-19-12-8-7-11-18(19)13-14-20(21)22(23)25-16-17-9-5-4-6-10-17/h2,4-14H,1,3,15-16H2
Synonyms:	benzyl 1-(but-3-en-1-yloxy)-2-naphthoate
Definition date:	2025-01-29
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	(phenylmethyl) 1-but-3-enoxynaphthalene-2-carboxylate

A1CRA

A1CRA
Name:	4-(2-aminoethyl)-2-iodophenol
Formula:	C8 H10 I N O
SMILES:	Ic1cc(CCN)ccc1O
InChi:	InChI=1S/C8H10INO/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5,11H,3-4,10H2
Definition date:	2025-08-26
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	4-(2-aminoethyl)-2-iodophenol

A1CRB

A1CRB
Name:	2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one
Formula:	C6 H5 F3 N2 O
SMILES:	O=C(c1nccn1C)C(F)(F)F
InChi:	InChI=1S/C6H5F3N2O/c1-11-3-2-10-5(11)4(12)6(7,8)9/h2-3H,1H3
Definition date:	2025-08-26
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)ethan-1-one

A1CS2

A1CS2
Name:	2-[(1-methylcyclobutyl)sulfanyl]benzoic acid
Formula:	C12 H14 O2 S
SMILES:	O=C(O)c1ccccc1SC1(C)CCC1
InChi:	InChI=1S/C12H14O2S/c1-12(7-4-8-12)15-10-6-3-2-5-9(10)11(13)14/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)
Definition date:	2025-09-10
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	2-[(1-methylcyclobutyl)sulfanyl]benzoic acid

A1CS3

A1CS3
Name:	methyl (1S)-2-oxocyclopentane-1-carboxylate
Formula:	C7 H10 O3
SMILES:	O=C1CCCC1C(=O)OC
InChi:	InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3/t5-/m0/s1
Definition date:	2025-09-10
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	methyl (1S)-2-oxocyclopentane-1-carboxylate

A1CS4

A1CS4
Name:	(4-bromanyl-5-methyl-thiophen-2-yl)-oxidanyl-oxidanylidene-boron
Formula:	C5 H5 B Br O2 S
SMILES:	Cc1sc(cc1Br)[B](O)=O
InChi:	InChI=1S/C5H5BBrO2S/c1-3-4(7)2-5(10-3)6(8)9/h2,8H,1H3
Definition date:	2025-09-10
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	(4-bromanyl-5-methyl-thiophen-2-yl)-oxidanyl-oxidanylidene-boron

A1CS5

A1CS5
Name:	N,N'-(pyridine-2,6-diyl)diacetamide
Formula:	C9 H11 N3 O2
SMILES:	O=C(C)Nc1cccc(NC(C)=O)n1
InChi:	InChI=1S/C9H11N3O2/c1-6(13)10-8-4-3-5-9(12-8)11-7(2)14/h3-5H,1-2H3,(H2,10,11,12,13,14)
Definition date:	2025-09-10
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	N,N'-(pyridine-2,6-diyl)diacetamide

A1CWA

A1CWA
Name:	(2-azanylimidazol-1-yl)-[[(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy]phosphinic acid
Formula:	C13 H17 N8 O6 P
SMILES:	Nc1nccn1P(=O)(O)OCC1OC(CC1O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C13H17N8O6P/c14-12-18-10-9(11(23)19-12)17-5-20(10)8-3-6(22)7(27-8)4-26-28(24,25)21-2-1-16-13(21)15/h1-2,5-8,22H,3-4H2,(H2,15,16)(H,24,25)(H3,14,18,19,23)/t6-,7+,8+/m0/s1
Synonyms:	5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]-2'-deoxyguanosine
Definition date:	2025-09-29
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]-2'-deoxyguanosine

A1CYM

A1CYM
Name:	N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide
Formula:	C17 H17 N5 O3 S2
SMILES:	O=C(NS(=O)(=O)c1cccc(c1)c1cc2ncnc(N)c2s1)C1CCCN1
InChi:	InChI=1S/C17H17N5O3S2/c18-16-15-13(20-9-21-16)8-14(26-15)10-3-1-4-11(7-10)27(24,25)22-17(23)12-5-2-6-19-12/h1,3-4,7-9,12,19H,2,5-6H2,(H,22,23)(H2,18,20,21)/t12-/m0/s1
Definition date:	2025-10-14
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	N-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-prolinamide

A1I4V

A1I4V
Name:	~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide
Formula:	C9 H10 Cl N O
SMILES:	CC(=O)Nc1ccc(C)c(Cl)c1
InChi:	InChI=1S/C9H10ClNO/c1-6-3-4-8(5-9(6)10)11-7(2)12/h3-5H,1-2H3,(H,11,12)
Definition date:	2025-02-26
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	~{N}-(3-chloranyl-4-methyl-phenyl)ethanamide

A1INA

A1INA
Name:	~{N}-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]ethanamide
Formula:	C6 H13 N O2
SMILES:	C[CH](O)[CH](C)NC(C)=O
InChi:	InChI=1S/C6H13NO2/c1-4(5(2)8)7-6(3)9/h4-5,8H,1-3H3,(H,7,9)/t4-,5-/m0/s1
Definition date:	2024-09-03
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	~{N}-[(2~{S},3~{S})-3-oxidanylbutan-2-yl]ethanamide

A1IXQ

A1IXQ
Name:	2-azanyl-~{N}-[2-(4-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
Formula:	C16 H14 Cl N3 O S
SMILES:	Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Cl)cc3
InChi:	InChI=1S/C16H14ClN3OS/c17-12-4-1-10(2-5-12)7-8-19-15(21)11-3-6-13-14(9-11)22-16(18)20-13/h1-6,9H,7-8H2,(H2,18,20)(H,19,21)
Definition date:	2024-12-27
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	2-azanyl-~{N}-[2-(4-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide

A1IXR

A1IXR
Name:	2-azanyl-~{N}-[2-(3-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
Formula:	C16 H14 Br N3 O S
SMILES:	Nc1sc2cc(ccc2n1)C(=O)NCCc3cccc(Br)c3
InChi:	InChI=1S/C16H14BrN3OS/c17-12-3-1-2-10(8-12)6-7-19-15(21)11-4-5-13-14(9-11)22-16(18)20-13/h1-5,8-9H,6-7H2,(H2,18,20)(H,19,21)
Definition date:	2024-12-27
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	2-azanyl-~{N}-[2-(3-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide

A1IXS

A1IXS
Name:	2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
Formula:	C16 H14 Br N3 O S
SMILES:	Nc1sc2cc(ccc2n1)C(=O)NCCc3ccc(Br)cc3
InChi:	InChI=1S/C16H14BrN3OS/c17-12-4-1-10(2-5-12)7-8-19-15(21)11-3-6-13-14(9-11)22-16(18)20-13/h1-6,9H,7-8H2,(H2,18,20)(H,19,21)
Definition date:	2024-12-27
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	2-azanyl-~{N}-[2-(4-bromophenyl)ethyl]-1,3-benzothiazole-6-carboxamide

A1JB4

A1JB4
Name:	5-[2-[4-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
Formula:	C27 H27 Cl F3 N5 O3
SMILES:	NC(=O)c1ccc2c(c1)nc(NCCOCCCCNCc3ccc(OC(F)(F)F)c(Cl)c3)c4ccncc24
InChi:	InChI=1S/C27H27ClF3N5O3/c28-22-13-17(3-6-24(22)39-27(29,30)31)15-33-8-1-2-11-38-12-10-35-26-20-7-9-34-16-21(20)19-5-4-18(25(32)37)14-23(19)36-26/h3-7,9,13-14,16,33H,1-2,8,10-12,15H2,(H2,32,37)(H,35,36)
Definition date:	2025-05-07
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	5-[2-[4-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methylamino]butoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide

A1JJ8

A1JJ8
Name:	~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide
Formula:	C18 H18 F N3 O
SMILES:	CCC(=O)Nc1nn(Cc2ccc(F)cc2)c3c(C)cccc13
InChi:	InChI=1S/C18H18FN3O/c1-3-16(23)20-18-15-6-4-5-12(2)17(15)22(21-18)11-13-7-9-14(19)10-8-13/h4-10H,3,11H2,1-2H3,(H,20,21,23)
Definition date:	2025-07-16
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]propanamide

A1JJQ

A1JJQ
Name:	~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]prop-2-enamide
Formula:	C18 H16 F N3 O
SMILES:	Cc1cccc2c(NC(=O)C=C)nn(Cc3ccc(F)cc3)c12
InChi:	InChI=1S/C18H16FN3O/c1-3-16(23)20-18-15-6-4-5-12(2)17(15)22(21-18)11-13-7-9-14(19)10-8-13/h3-10H,1,11H2,2H3,(H,20,21,23)
Definition date:	2025-07-08
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	~{N}-[1-[(4-fluorophenyl)methyl]-7-methyl-indazol-3-yl]prop-2-enamide

A1JNK

A1JNK
Name:	5-methyl-~{N}-[(3~{R})-1-methylpiperidin-3-yl]-6-(2-methyl-1~{H}-pyrrolo[2,3-b]pyridin-6-yl)pyridazin-3-amine
Formula:	C19 H24 N6
SMILES:	CN1CCC[CH](C1)Nc2cc(C)c(nn2)c3ccc4cc(C)[nH]c4n3
InChi:	InChI=1S/C19H24N6/c1-12-9-17(21-15-5-4-8-25(3)11-15)23-24-18(12)16-7-6-14-10-13(2)20-19(14)22-16/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,20,22)(H,21,23)/t15-/m1/s1
Definition date:	2025-08-19
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	5-methyl-~{N}-[(3~{R})-1-methylpiperidin-3-yl]-6-(2-methyl-1~{H}-pyrrolo[2,3-b]pyridin-6-yl)pyridazin-3-amine

A1L4W

A1L4W
Name:	[(1~{S})-4-oxidanylidene-4-[oxidanyl(2-phenylethyl)amino]-1-phenyl-butyl]phosphonic acid
Formula:	C18 H22 N O5 P
SMILES:	ON(CCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O
InChi:	InChI=1S/C18H22NO5P/c20-18(19(21)14-13-15-7-3-1-4-8-15)12-11-17(25(22,23)24)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2,(H2,22,23,24)/t17-/m0/s1
Definition date:	2024-10-15
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	[(1~{S})-4-oxidanylidene-4-[oxidanyl(2-phenylethyl)amino]-1-phenyl-butyl]phosphonic acid

A1L7B

A1L7B
Name:	Azumolene
Formula:	C13 H9 Br N4 O3
SMILES:	Brc1ccc(cc1)c2oc(C=NN3CC(=O)NC3=O)nc2
InChi:	InChI=1S/C13H9BrN4O3/c14-9-3-1-8(2-4-9)10-5-15-12(21-10)6-16-18-7-11(19)17-13(18)20/h1-6H,7H2,(H,17,19,20)/b16-6+
Definition date:	2025-01-08
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	1-[(~{E})-[5-(4-bromophenyl)-1,3-oxazol-2-yl]methylideneamino]imidazolidine-2,4-dione

A1L9B

A1L9B
Name:	methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
Formula:	C32 H43 N O4
SMILES:	COC(=O)[C]12CCC(C)(C)C[CH]1[CH]3C(=O)C=C4[C](C)(CC[CH]5C(C)(C)C(=O)C(=C[C]45C)C#N)[C]3(C)CC2
InChi:	InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20?,22?,24?,29-,30+,31+,32-/m0/s1
Synonyms:	CDDO-Me
Definition date:	2025-04-28
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	methyl (4~{a}~{S},6~{a}~{R},6~{b}~{S},8~{a}~{R},12~{a}~{S},14~{a}~{R},14~{b}~{S})-11-cyano-2,2,6~{a},6~{b},9,9,12~{a}-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8~{a},14~{a},14~{b}-decahydropicene-4~{a}-carboxylate

A1MBA

A1MBA
Name:	Phytoene
Formula:	C40 H64
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11-,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+
Synonyms:	(6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene
Definition date:	2025-07-29
Last modified:	2025-10-17
Release date:	2025-10-22
Identifier:	(6~{E},10~{E},14~{Z},16~{Z},18~{E},22~{E},26~{E})-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene

XAK

XAK
Name:	S-(carboxymethyl)-L-cysteinylglycinamide
Formula:	C7 H13 N3 O4 S
SMILES:	O=C(NCC(N)=O)C(N)CSCC(O)=O
InChi:	InChI=1S/C7H13N3O4S/c8-4(2-15-3-6(12)13)7(14)10-1-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,14)(H,12,13)/t4-/m0/s1
Definition date:	2022-11-08
Last modified:	2025-10-10
Release date:	2025-10-15
Identifier:	S-(carboxymethyl)-L-cysteinylglycinamide

A1EER

A1EER
Name:	[(2R)-2-dodecanoyloxy-3-[oxidanyl-[(2R,3R,5S,6R)-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] dodecanoate
Formula:	C33 H64 O16 P2
SMILES:	CCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCC
InChi:	InChI=1S/C33H64O16P2/c1-3-5-7-9-11-13-15-17-19-21-26(34)45-23-25(47-27(35)22-20-18-16-14-12-10-8-6-4-2)24-46-51(43,44)49-33-30(38)28(36)32(29(37)31(33)39)48-50(40,41)42/h25,28-33,36-39H,3-24H2,1-2H3,(H,43,44)(H2,40,41,42)/t25-,28-,29+,30-,31-,32-,33+/m1/s1
Definition date:	2024-10-30
Last modified:	2025-10-10
Release date:	2025-10-15
Identifier:	[(2~{R})-2-dodecanoyloxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] dodecanoate

A1EJ8

A1EJ8
Name:	4-fluoranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine
Formula:	C17 H16 F N3 O2 S
SMILES:	Fc1cccc2c1C(=N[S]2(=O)=O)Nc3ccccc3N4CCCC4
InChi:	InChI=1S/C17H16FN3O2S/c18-12-6-5-9-15-16(12)17(20-24(15,22)23)19-13-7-1-2-8-14(13)21-10-3-4-11-21/h1-2,5-9H,3-4,10-11H2,(H,19,20)
Definition date:	2025-01-19
Last modified:	2025-10-10
Release date:	2025-10-15
Identifier:	4-fluoranyl-1,1-bis(oxidanylidene)-~{N}-(2-pyrrolidin-1-ylphenyl)-1,2-benzothiazol-3-amine

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