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A1EHA

A1EHA
Name:	1-[1-[2,5-dimethoxy-4-[(1~{S})-1-oxidanylethyl]phenyl]indolizin-3-yl]ethanone
Formula:	C20 H21 N O4
SMILES:	COc1cc(c(OC)cc1[CH](C)O)c2cc(n3ccccc23)C(C)=O
InChi:	InChI=1S/C20H21NO4/c1-12(22)14-10-20(25-4)16(11-19(14)24-3)15-9-18(13(2)23)21-8-6-5-7-17(15)21/h5-12,22H,1-4H3/t12-/m0/s1
Definition date:	2024-12-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	1-[1-[2,5-dimethoxy-4-[(1~{S})-1-oxidanylethyl]phenyl]indolizin-3-yl]ethanone

A1EMX

A1EMX
Name:	2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]phenol
Formula:	C20 H18 N4 O
SMILES:	Cc1ccc(O)c(C)c1c2cnc3[nH]c(cc3c2)c4cnc(C)nc4
InChi:	InChI=1S/C20H18N4O/c1-11-4-5-18(25)12(2)19(11)15-6-14-7-17(24-20(14)23-8-15)16-9-21-13(3)22-10-16/h4-10,25H,1-3H3,(H,23,24)
Definition date:	2025-03-11
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	2,4-dimethyl-3-[2-(2-methylpyrimidin-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]phenol

A1EW5

A1EW5
Name:	[(2~{S})-2-[(~{Z})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (~{Z})-octadec-9-enoate
Formula:	C39 H72 O5
SMILES:	CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC=CCCCCCCCC
InChi:	InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17-,20-18-/t37-/m0/s1
Synonyms:	1,2-Dioleoyl-sn-glycerol
Definition date:	2025-09-05
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	[(2~{S})-2-[(~{Z})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] (~{Z})-octadec-9-enoate

A1EWS

A1EWS
Name:	(6-bromanylpyridin-3-yl)-[1'-[(~{E})-3-(4-chlorophenyl)prop-2-enyl]-5-fluoranyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methanone
Formula:	C27 H24 Br Cl F N3 O
SMILES:	Fc1ccc2N(CC3(CCN(CC3)CC=Cc4ccc(Cl)cc4)c2c1)C(=O)c5ccc(Br)nc5
InChi:	InChI=1S/C27H24BrClFN3O/c28-25-10-5-20(17-31-25)26(34)33-18-27(23-16-22(30)8-9-24(23)33)11-14-32(15-12-27)13-1-2-19-3-6-21(29)7-4-19/h1-10,16-17H,11-15,18H2/b2-1+
Definition date:	2025-09-02
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	(6-bromanylpyridin-3-yl)-[1'-[(~{E})-3-(4-chlorophenyl)prop-2-enyl]-5-fluoranyl-spiro[2~{H}-indole-3,4'-piperidine]-1-yl]methanone

A1EWW

A1EWW
Name:	2-(3-ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
Formula:	C15 H13 F3 N4 O2 S
SMILES:	CC[S](=O)(=O)c1cccnc1c2nc3cc(cnc3n2C)C(F)(F)F
InChi:	InChI=1S/C15H13F3N4O2S/c1-3-25(23,24)11-5-4-6-19-12(11)14-21-10-7-9(15(16,17)18)8-20-13(10)22(14)2/h4-8H,3H2,1-2H3
Definition date:	2025-09-02
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	2-(3-ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

A1H2Z

A1H2Z
Name:	(1~{E})-1-[3-[(2~{R})-1-phenylpropan-2-yl]-2~{H}-1,2,3-oxadiazol-3-ium-5-ylidene]-3-[3-(trifluoromethyl)phenyl]urea
Formula:	C19 H18 F3 N4 O2
SMILES:	C[CH](Cc1ccccc1)[N+]2=CC(ON2)=NC(=O)Nc3cccc(c3)C(F)(F)F
InChi:	InChI=1S/C19H17F3N4O2/c1-13(10-14-6-3-2-4-7-14)26-12-17(28-25-26)24-18(27)23-16-9-5-8-15(11-16)19(20,21)22/h2-9,11-13H,10H2,1H3,(H-,23,24,25,27)/p+1/t13-/m1/s1
Definition date:	2024-01-24
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	(1~{E})-1-[3-[(2~{R})-1-phenylpropan-2-yl]-2~{H}-1,2,3-oxadiazol-3-ium-5-ylidene]-3-[3-(trifluoromethyl)phenyl]urea

A1H3F

A1H3F
Name:	1-[3-[[5-[4-[2-(dimethylamino)ethoxy]-6-methyl-pyrimidin-5-yl]pyridin-2-yl]methyl]-1,2,3-oxadiazol-3-ium-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
Formula:	C25 H26 F3 N8 O3
SMILES:	CN(C)CCOc1ncnc(C)c1c2ccc(C[n+]3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)on3)nc2
InChi:	InChI=1S/C25H25F3N8O3/c1-16-22(23(31-15-30-16)38-10-9-35(2)3)17-7-8-20(29-12-17)13-36-14-21(39-34-36)33-24(37)32-19-6-4-5-18(11-19)25(26,27)28/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H-,32,33,34,37)/p+1
Definition date:	2024-02-02
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	1-[3-[[5-[4-[2-(dimethylamino)ethoxy]-6-methyl-pyrimidin-5-yl]pyridin-2-yl]methyl]-1,2,3-oxadiazol-3-ium-5-yl]-3-[3-(trifluoromethyl)phenyl]urea

A1BWF

A1BWF
Name:	3-methyl-N-(5-{4-[(1r,4S)-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl]piperazin-1-yl}pentanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide
Formula:	C47 H66 N10 O5 S
SMILES:	CC(C)N1c2nc(ncc2C=CC1=O)NC1CCC(CC1)N1CCN(CC1)CCCCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C
InChi:	InChI=1S/C47H66N10O5S/c1-30(2)57-40(60)19-14-34-27-49-46(53-43(34)57)51-35-15-17-36(18-16-35)55-23-21-54(22-24-55)20-8-7-9-39(59)52-42(47(4,5)6)45(62)56-28-37(58)25-38(56)44(61)48-26-32-10-12-33(13-11-32)41-31(3)50-29-63-41/h10-14,19,27,29-30,35-38,42,58H,7-9,15-18,20-26,28H2,1-6H3,(H,48,61)(H,52,59)(H,49,51,53)/t35-,36-,37-,38+,42-/m1/s1
Definition date:	2025-02-10
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	3-methyl-N-(5-{4-[(1r,4S)-4-{[7-oxo-8-(propan-2-yl)-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}cyclohexyl]piperazin-1-yl}pentanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide

A1BXA

A1BXA
Name:	4-{[5-amino-1-(3-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}benzoyl)-1H-1,2,4-triazol-3-yl]amino}benzene-1-sulfonamide
Formula:	C15 H15 F N6 O6 S2
SMILES:	O=C(c1cccc(OS(F)(O)O)c1)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
InChi:	InChI=1S/C15H15FN6O6S2/c16-30(26,27)28-11-3-1-2-9(8-11)13(23)22-14(17)20-15(21-22)19-10-4-6-12(7-5-10)29(18,24)25/h1-8,26-27H,(H2,18,24,25)(H3,17,19,20,21)
Definition date:	2025-02-18
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	4-{[5-amino-1-(3-{[fluorodi(hydroxy)-lambda~4~-sulfanyl]oxy}benzoyl)-1H-1,2,4-triazol-3-yl]amino}benzene-1-sulfonamide

A1CDQ

A1CDQ
Name:	(3R,4S)-4-phenoxypyrrolidin-3-ol
Formula:	C10 H13 N O2
SMILES:	OC1CNCC1Oc1ccccc1
InChi:	InChI=1S/C10H13NO2/c12-9-6-11-7-10(9)13-8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9-,10+/m1/s1
Definition date:	2025-05-21
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	(3R,4S)-4-phenoxypyrrolidin-3-ol

A1CDR

A1CDR
Name:	1-(1-ethyl-1H-pyrrol-3-yl)methanamine
Formula:	C7 H12 N2
SMILES:	NCc1ccn(CC)c1
InChi:	InChI=1S/C7H12N2/c1-2-9-4-3-7(5-8)6-9/h3-4,6H,2,5,8H2,1H3
Definition date:	2025-05-21
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	1-(1-ethyl-1H-pyrrol-3-yl)methanamine

A1CFE

A1CFE
Name:	(S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine
Formula:	C12 H15 N3 O
SMILES:	NC(c1ccc(OC)cc1)c1nccn1C
InChi:	InChI=1S/C12H15N3O/c1-15-8-7-14-12(15)11(13)9-3-5-10(16-2)6-4-9/h3-8,11H,13H2,1-2H3/t11-/m0/s1
Definition date:	2025-06-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	(S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine

A1CFF

A1CFF
Name:	N-cyclohexylurea
Formula:	C7 H14 N2 O
SMILES:	O=C(N)NC1CCCCC1
InChi:	InChI=1S/C7H14N2O/c8-7(10)9-6-4-2-1-3-5-6/h6H,1-5H2,(H3,8,9,10)
Definition date:	2025-06-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	N-cyclohexylurea

A1CFG

A1CFG
Name:	4-[(2-fluorophenyl)methyl]-4,5-dihydropyrazin-2(3H)-one
Formula:	C11 H11 F N2 O
SMILES:	Fc1ccccc1CN1CC=NC(=O)C1
InChi:	InChI=1S/C11H11FN2O/c12-10-4-2-1-3-9(10)7-14-6-5-13-11(15)8-14/h1-5H,6-8H2
Definition date:	2025-06-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	4-[(2-fluorophenyl)methyl]-4,5-dihydropyrazin-2(3H)-one

A1CFR

A1CFR
Name:	(1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
Formula:	C8 H14 F3 N
SMILES:	CNC1CCC(CC1)C(F)(F)F
InChi:	InChI=1S/C8H14F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7-
Definition date:	2025-06-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	(1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

A1CFS

A1CFS
Name:	2-(azetidin-3-yl)-1H-imidazole
Formula:	C6 H9 N3
SMILES:	n1cc[NH]c1C1CNC1
InChi:	InChI=1S/C6H9N3/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2,(H,8,9)
Definition date:	2025-06-09
Last modified:	2025-10-31
Release date:	2025-11-05
Identifier:	2-(azetidin-3-yl)-1H-imidazole

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

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