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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

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

YBI

YBI
Name:	~{N}-[4-[6-[3-[4-[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]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide
Formula:	C50 H56 Cl N11 O3 S
SMILES:	Cc1sc2n3c(C)nnc3[CH](CC(=O)N4CCN(CCCOc5ccc6nc([nH]c6c5)[CH]7CC[CH](CC7)NC(=O)CNCc8[nH]c9ccccc9c8)CC4)N=C(c%10ccc(Cl)cc%10)c2c1C
InChi:	InChI=1S/C50H56ClN11O3S/c1-30-31(2)66-50-46(30)47(33-9-13-36(51)14-10-33)55-43(49-59-58-32(3)62(49)50)27-45(64)61-22-20-60(21-23-61)19-6-24-65-39-17-18-41-42(26-39)57-48(56-41)34-11-15-37(16-12-34)54-44(63)29-52-28-38-25-35-7-4-5-8-40(35)53-38/h4-5,7-10,13-14,17-18,25-26,34,37,43,52-53H,6,11-12,15-16,19-24,27-29H2,1-3H3,(H,54,63)(H,56,57)/t34-,37+,43-/m0/s1
Definition date:	2023-11-28
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	~{N}-[4-[6-[3-[4-[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]ethanoyl]piperazin-1-yl]propoxy]-1~{H}-benzimidazol-2-yl]cyclohexyl]-2-(1~{H}-indol-2-ylmethylamino)ethanamide

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

OOI

OOI
Name:	4-fluorosalicyclic acid
Formula:	C7 H5 F O3
SMILES:	OC(=O)c1ccc(F)cc1O
InChi:	InChI=1S/C7H5FO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)
Synonyms:	4-fluoranyl-2-oxidanyl-benzoic acid
Definition date:	2022-09-15
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	4-fluoranyl-2-oxidanyl-benzoic acid

R06

R06
Name:	1-[3,5-bis(2-chloranylethanoyl)-1,3,5-triazinan-1-yl]-2-chloranyl-ethanone
Formula:	C9 H12 Cl3 N3 O3
SMILES:	ClCC(=O)N1CN(CN(C1)C(=O)CCl)C(=O)CCl
InChi:	InChI=1S/C9H12Cl3N3O3/c10-1-7(16)13-4-14(8(17)2-11)6-15(5-13)9(18)3-12/h1-6H2
Definition date:	2022-11-21
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	1-[3,5-bis(2-chloranylethanoyl)-1,3,5-triazinan-1-yl]-2-chloranyl-ethanone

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

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

7Y8

7Y8
Name:	3-[(2R)-2-azanyl-1-oxidanyl-propyl]phenol
Formula:	C9 H13 N O2
SMILES:	C[CH](N)[CH](O)c1cccc(O)c1
InChi:	InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9?/m1/s1
Definition date:	2021-11-02
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	3-[(2~{R})-2-azanyl-1-oxidanyl-propyl]phenol

7ON

7ON
Name:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S},3~{R})-4-(cyclopentylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
Formula:	C31 H46 F3 N5 O6
SMILES:	O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2[CH]3CCC[CH]3CN2C(=O)[CH](NC(=O)C(F)(F)F)C4CCCCC4)C(=O)NC5CCCC5
InChi:	InChI=1S/C31H46F3N5O6/c32-31(33,34)30(45)38-23(17-7-2-1-3-8-17)29(44)39-16-19-9-6-12-21(19)24(39)27(42)37-22(15-18-13-14-35-26(18)41)25(40)28(43)36-20-10-4-5-11-20/h17-25,40H,1-16H2,(H,35,41)(H,36,43)(H,37,42)(H,38,45)/t18-,19-,21-,22-,23-,24-,25+/m0/s1
Definition date:	2023-03-01
Last modified:	2025-03-21
Release date:	2023-04-05
Identifier:	(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S},3~{R})-4-(cyclopentylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide

J23

J23
Name:	3-[(2S)-2-azanyl-1-oxidanyl-propyl]phenol
Formula:	C9 H13 N O2
SMILES:	C[CH](N)[CH](O)c1cccc(O)c1
InChi:	InChI=1S/C9H13NO2/c1-6(10)9(12)7-3-2-4-8(11)5-7/h2-6,9,11-12H,10H2,1H3/t6-,9+/m0/s1
Definition date:	2021-03-24
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	3-[(2~{S})-2-azanyl-1-oxidanyl-propyl]phenol

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

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

A1AXV

A1AXV
Name:	N-(3-methylphenyl)thiourea
Formula:	C8 H10 N2 S
SMILES:	S=C(N)Nc1cc(C)ccc1
InChi:	InChI=1S/C8H10N2S/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-(3-methylphenyl)thiourea

A1AXY

A1AXY
Name:	N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea
Formula:	C15 H21 N3 S
SMILES:	S=C(NCCc1ccccn1)NC1CC2CCC1C2
InChi:	InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)/t11-,12?,14?/m1/s1
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-[(1R,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N'-[2-(pyridin-2-yl)ethyl]thiourea

A1AXZ

A1AXZ
Name:	3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
Formula:	C11 H12 N2 O S
SMILES:	O=C1CNC(=S)N1CCc1ccccc1
InChi:	InChI=1S/C11H12N2OS/c14-10-8-12-11(15)13(10)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,15)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one

A1AYA

A1AYA
Name:	[2-(4-methylpiperazin-1-yl)phenyl]methanol
Formula:	C12 H18 N2 O
SMILES:	CN1CCN(CC1)c1ccccc1CO
InChi:	InChI=1S/C12H18N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,15H,6-10H2,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	[2-(4-methylpiperazin-1-yl)phenyl]methanol

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