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A1CFV

A1CFV
Name:	N-methyl-5-[(methylamino)methyl]furan-2-carboxamide
Formula:	C8 H12 N2 O2
SMILES:	CNCc1ccc(o1)C(=O)NC
InChi:	InChI=1S/C8H12N2O2/c1-9-5-6-3-4-7(12-6)8(11)10-2/h3-4,9H,5H2,1-2H3,(H,10,11)
Definition date:	2025-06-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	N-methyl-5-[(methylamino)methyl]furan-2-carboxamide

A1CFY

A1CFY
Name:	2-propylpyrimidin-4-amine
Formula:	C7 H11 N3
SMILES:	CCCc1nc(N)ccn1
InChi:	InChI=1S/C7H11N3/c1-2-3-7-9-5-4-6(8)10-7/h4-5H,2-3H2,1H3,(H2,8,9,10)
Definition date:	2025-06-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	2-propylpyrimidin-4-amine

A1CFZ

A1CFZ
Name:	(4aS,8aR)-octahydroquinoxalin-2(1H)-one
Formula:	C8 H14 N2 O
SMILES:	O=C1NC2CCCCC2NC1
InChi:	InChI=1S/C8H14N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m0/s1
Definition date:	2025-06-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	(4aS,8aR)-octahydroquinoxalin-2(1H)-one

A1CG7

A1CG7
Name:	7-amino-1-methyl-3-{[(1H-tetrazol-5-yl)amino]methyl}pyrimido[4,5-c]pyridazine-4,5(1H,6H)-dione
Formula:	C9 H10 N10 O2
SMILES:	O=C1C(=NN(C)C=2N=C(N)NC(=O)C1=2)CNc1nnn[NH]1
InChi:	InChI=1S/C9H10N10O2/c1-19-6-4(7(21)13-8(10)12-6)5(20)3(16-19)2-11-9-14-17-18-15-9/h2H2,1H3,(H3,10,12,13,21)(H2,11,14,15,17,18)
Definition date:	2025-06-19
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	7-amino-1-methyl-3-{[(1H-tetrazol-5-yl)amino]methyl}pyrimido[4,5-c]pyridazine-4,5(1H,6H)-dione

A1CGQ

A1CGQ
Name:	[(3S,4R)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol
Formula:	C9 H13 N O S
SMILES:	OCC1CNCC1c1ccsc1
InChi:	InChI=1S/C9H13NOS/c11-5-8-3-10-4-9(8)7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-,9-/m0/s1
Definition date:	2025-06-13
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	[(3S,4R)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol

A1CGR

A1CGR
Name:	N-{[4-(methanesulfonyl)phenyl]methyl}-N'-{[(3R)-oxolan-3-yl]methyl}urea
Formula:	C14 H20 N2 O4 S
SMILES:	O=C(NCC1CCOC1)NCc1ccc(cc1)S(C)(=O)=O
InChi:	InChI=1S/C14H20N2O4S/c1-21(18,19)13-4-2-11(3-5-13)8-15-14(17)16-9-12-6-7-20-10-12/h2-5,12H,6-10H2,1H3,(H2,15,16,17)/t12-/m1/s1
Definition date:	2025-06-13
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	N-{[4-(methanesulfonyl)phenyl]methyl}-N'-{[(3R)-oxolan-3-yl]methyl}urea

A1CGS

A1CGS
Name:	2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine
Formula:	C11 H16 Cl N O
SMILES:	Cc1cc(OCCNCC)ccc1Cl
InChi:	InChI=1S/C11H16ClNO/c1-3-13-6-7-14-10-4-5-11(12)9(2)8-10/h4-5,8,13H,3,6-7H2,1-2H3
Definition date:	2025-06-13
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine

A1CGV

A1CGV
Name:	2-[4-(benzyloxy)phenoxy]-N-ethylethan-1-amine
Formula:	C17 H21 N O2
SMILES:	CCNCCOc1ccc(cc1)OCc1ccccc1
InChi:	InChI=1S/C17H21NO2/c1-2-18-12-13-19-16-8-10-17(11-9-16)20-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3
Definition date:	2025-06-13
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	2-[4-(benzyloxy)phenoxy]-N-ethylethan-1-amine

A1D76

A1D76
Name:	2-[(4R,5S,7R,25S,26R,29R,30S,31R)-13,14,15,18,19,20,21,31,35,36-decahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17(22),18,20,34(38),35-nonaen-29-yl]acetic acid
Formula:	C41 H30 O27
SMILES:	O[CH]1[CH]2[CH](CC(O)=O)C(=O)O[CH]3[CH]4COC(=O)c5cc(O)c(O)c(O)c5c6c(O)c(O)c(O)cc6C(=O)O[CH]3[CH](OC(=O)c7cc(O)c(O)c(OC1=O)c27)[CH](O4)OC(=O)c8cc(O)c(O)c(O)c8
InChi:	InChI=1S/C41H30O27/c42-13-1-8(2-14(43)24(13)49)35(56)68-41-34-33-31(64-39(60)12(6-19(47)48)22-23-11(38(59)67-34)5-17(46)27(52)32(23)65-40(61)30(22)55)18(63-41)7-62-36(57)9-3-15(44)25(50)28(53)20(9)21-10(37(58)66-33)4-16(45)26(51)29(21)54/h1-5,12,18,22,30-31,33-34,41-46,49-55H,6-7H2,(H,47,48)/t12-,18-,22+,30-,31-,33+,34-,41+/m1/s1
Definition date:	2024-05-06
Last modified:	2025-10-31
Release date:	2025-11-05

A1I59

A1I59
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[(1~{S})-1-azanyl-3,3-bis(oxidanyl)propyl]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C12 H21 N4 O10 P
SMILES:	N[CH](CC(O)O)C1=CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)N=C1N
InChi:	InChI=1S/C12H21N4O10P/c13-5(1-7(17)18)4-2-16(12(21)15-10(4)14)11-9(20)8(19)6(26-11)3-25-27(22,23)24/h2,5-9,11,17-20H,1,3,13H2,(H2,14,15,21)(H2,22,23,24)/t5-,6+,8+,9+,11+/m0/s1
Definition date:	2025-03-17
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[(1~{S})-1-azanyl-3,3-bis(oxidanyl)propyl]-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

A1ISF

A1ISF
Name:	1-(2-phenylethynyl)cyclohexan-1-ol
Formula:	C14 H16 O
SMILES:	OC1(CCCCC1)C#Cc2ccccc2
InChi:	InChI=1S/C14H16O/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8,15H,2,5-6,10-11H2
Definition date:	2024-10-23
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	1-(2-phenylethynyl)cyclohexan-1-ol

A1ISQ

A1ISQ
Name:	3-(1H-indol-6-yl)-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C19 H21 N7
SMILES:	CN1CCC(CC1)n2nc(c3ccc4cc[nH]c4c3)c5c(N)ncnc25
InChi:	InChI=1S/C19H21N7/c1-25-8-5-14(6-9-25)26-19-16(18(20)22-11-23-19)17(24-26)13-3-2-12-4-7-21-15(12)10-13/h2-4,7,10-11,14,21H,5-6,8-9H2,1H3,(H2,20,22,23)
Definition date:	2024-10-26
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	3-(1~{H}-indol-6-yl)-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

A1ISR

A1ISR
Name:	~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-4-oxidanylidene-3-(2-phenylethanoylamino)butyl]-5-chloranyl-thiophene-2-carboxamide
Formula:	C22 H27 Cl N4 O4 S2
SMILES:	NC(=O)CSCCCNC(=O)[CH](CCNC(=O)c1sc(Cl)cc1)NC(=O)Cc2ccccc2
InChi:	InChI=1S/C22H27ClN4O4S2/c23-18-8-7-17(33-18)22(31)26-11-9-16(21(30)25-10-4-12-32-14-19(24)28)27-20(29)13-15-5-2-1-3-6-15/h1-3,5-8,16H,4,9-14H2,(H2,24,28)(H,25,30)(H,26,31)(H,27,29)/t16-/m0/s1
Definition date:	2024-10-28
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-4-oxidanylidene-3-(2-phenylethanoylamino)butyl]-5-chloranyl-thiophene-2-carboxamide

A1ITQ

A1ITQ
Name:	~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide
Formula:	C22 H26 Cl2 N4 O4 S2
SMILES:	NC(=O)CSCCCNC(=O)[CH](CCNC(=O)c1sc(Cl)cc1)NC(=O)Cc2cccc(Cl)c2
InChi:	InChI=1S/C22H26Cl2N4O4S2/c23-15-4-1-3-14(11-15)12-20(30)28-16(21(31)26-8-2-10-33-13-19(25)29)7-9-27-22(32)17-5-6-18(24)34-17/h1,3-6,11,16H,2,7-10,12-13H2,(H2,25,29)(H,26,31)(H,27,32)(H,28,30)/t16-/m0/s1
Definition date:	2024-11-08
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide

A1JNY

A1JNY
Name:	2,5-dimethoxy-~{N}-quinolin-3-yl-benzenesulfonamide
Formula:	C17 H16 N2 O4 S
SMILES:	COc1ccc(OC)c(c1)[S](=O)(=O)Nc2cnc3ccccc3c2
InChi:	InChI=1S/C17H16N2O4S/c1-22-14-7-8-16(23-2)17(10-14)24(20,21)19-13-9-12-5-3-4-6-15(12)18-11-13/h3-11,19H,1-2H3
Definition date:	2025-08-27
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	2,5-dimethoxy-~{N}-quinolin-3-yl-benzenesulfonamide

A1L2U

A1L2U
Name:	1-(6-azanylhexanoyl)pyrrolidine-2-carboxylic acid
Formula:	C11 H20 N2 O3
SMILES:	NCCCCCC(=O)N1CCC[CH]1C(O)=O
InChi:	InChI=1S/C11H20N2O3/c12-7-3-1-2-6-10(14)13-8-4-5-9(13)11(15)16/h9H,1-8,12H2,(H,15,16)/t9-/m1/s1
Definition date:	2024-07-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	1-(6-azanylhexanoyl)pyrrolidine-2-carboxylic acid

A1L9X

A1L9X
Name:	4-azanylpiperidine-4-carboxylic acid
Formula:	C6 H12 N2 O2
SMILES:	NC1(CCNCC1)C(O)=O
InChi:	InChI=1S/C6H12N2O2/c7-6(5(9)10)1-3-8-4-2-6/h8H,1-4,7H2,(H,9,10)
Synonyms:	4-Aminopiperidine-4-carboxylic acid
Definition date:	2025-05-30
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	4-azanylpiperidine-4-carboxylic acid

A1LVF

A1LVF
Name:	2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate
Formula:	C57 H104 O6
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:	InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
Synonyms:	Glyceryl trioleate
Definition date:	2023-12-20
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	2,3-bis[[(~{Z})-octadec-9-enoyl]oxy]propyl (~{Z})-octadec-9-enoate

MJB

MJB
Name:	2-piperazin-1-ylethanol
Formula:	C6 H14 N2 O
SMILES:	OCCN1CCNCC1
InChi:	InChI=1S/C6H14N2O/c9-6-5-8-3-1-7-2-4-8/h7,9H,1-6H2
Definition date:	2019-10-15
Last modified:	2025-10-30
Release date:	2020-10-14
Identifier:	2-piperazin-1-ylethanol

9CK

9CK
Name:	1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea
Formula:	C19 H22 Br N5 O2
SMILES:	Nc1ccc(CNC(=O)NCC(=O)N2CCCN2c3ccccc3Br)cc1
InChi:	InChI=1S/C19H22BrN5O2/c20-16-4-1-2-5-17(16)24-10-3-11-25(24)18(26)13-23-19(27)22-12-14-6-8-15(21)9-7-14/h1-2,4-9H,3,10-13,21H2,(H2,22,23,27)
Definition date:	2017-05-07
Last modified:	2025-10-28
Release date:	2018-05-30
Identifier:	1-[(4-aminophenyl)methyl]-3-[2-[2-(2-bromophenyl)pyrazolidin-1-yl]-2-oxidanylidene-ethyl]urea

KLF

KLF
Name:	(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide
Formula:	C5 H10 N2 O2
SMILES:	NC(=O)[CH]1C[CH](O)CN1
InChi:	InChI=1S/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4+/m1/s1
Definition date:	2022-09-27
Last modified:	2025-10-28
Release date:	2022-10-19
Identifier:	(2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide

YPQ

YPQ
Name:	4,4,4-tris(fluoranyl)-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one
Formula:	C12 H14 F6 N2 O2
SMILES:	FC(F)(F)CCC(=O)N1CCC2(CC1)CC(=NO2)C(F)(F)F
InChi:	InChI=1S/C12H14F6N2O2/c13-11(14,15)2-1-9(21)20-5-3-10(4-6-20)7-8(19-22-10)12(16,17)18/h1-7H2
Definition date:	2023-12-08
Last modified:	2025-10-24
Release date:	2025-10-29
Identifier:	4,4,4-tris(fluoranyl)-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one

A1B7E

A1B7E
Name:	N-(cyclohexylmethyl)-2-[(5-{[(1R)-1-phenylpropyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Formula:	C20 H28 N4 O S2
SMILES:	O=C(CSc1nnc(NC(CC)c2ccccc2)s1)NCC1CCCCC1
InChi:	InChI=1S/C20H28N4OS2/c1-2-17(16-11-7-4-8-12-16)22-19-23-24-20(27-19)26-14-18(25)21-13-15-9-5-3-6-10-15/h4,7-8,11-12,15,17H,2-3,5-6,9-10,13-14H2,1H3,(H,21,25)(H,22,23)/t17-/m1/s1
Definition date:	2025-03-31
Last modified:	2025-10-24
Release date:	2025-10-29
Identifier:	N-(cyclohexylmethyl)-2-[(5-{[(1R)-1-phenylpropyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

A1BMY

A1BMY
Name:	(8R,9R)-2-chloro-N-[5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl]-8-methyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[2,3-e]pyrimidine-6-carboxamide
Formula:	C18 H12 Cl2 F3 N9 O
SMILES:	FC(F)(F)C1(C)CN(c2cnc3cc(Cl)nn3c21)C(=O)Nc1cnc(c(Cl)c1)n1nccn1
InChi:	InChI=1S/C18H12Cl2F3N9O/c1-17(18(21,22)23)8-30(11-7-24-13-5-12(20)29-31(13)14(11)17)16(33)28-9-4-10(19)15(25-6-9)32-26-2-3-27-32/h2-7H,8H2,1H3,(H,28,33)/t17-/m1/s1
Definition date:	2024-12-24
Last modified:	2025-10-24
Release date:	2025-10-29
Identifier:	(8R,9R)-2-chloro-N-[5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl]-8-methyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[2,3-e]pyrimidine-6-carboxamide

IY4

IY4
Name:	methyl N-(2-{[(2M)-2-(pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}prop-2-enoyl)-D-alaninate
Formula:	C16 H16 N4 O4 S
SMILES:	O=C(OC)C(C)NC(=O)C(=C)NC(=O)c1csc(n1)c1cnccc1
InChi:	InChI=1S/C16H16N4O4S/c1-9(13(21)19-10(2)16(23)24-3)18-14(22)12-8-25-15(20-12)11-5-4-6-17-7-11/h4-8,10H,1H2,2-3H3,(H,18,22)(H,19,21)/t10-/m1/s1
Definition date:	2023-08-03
Last modified:	2025-10-24
Release date:	2025-10-29
Identifier:	methyl N-(2-{[(2M)-2-(pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}prop-2-enoyl)-D-alaninate

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