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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

A1AYB

A1AYB
Name:	N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine
Formula:	C13 H14 N2 O
SMILES:	CNCc1ccc(cc1)Oc1ccccn1
InChi:	InChI=1S/C13H14N2O/c1-14-10-11-5-7-12(8-6-11)16-13-4-2-3-9-15-13/h2-9,14H,10H2,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-methyl-1-{4-[(pyridin-2-yl)oxy]phenyl}methanamine

A1AYE

A1AYE
Name:	6-(4-chloro-3-methylphenoxy)pyridin-3-amine
Formula:	C12 H11 Cl N2 O
SMILES:	Cc1cc(ccc1Cl)Oc1ccc(N)cn1
InChi:	InChI=1S/C12H11ClN2O/c1-8-6-10(3-4-11(8)13)16-12-5-2-9(14)7-15-12/h2-7H,14H2,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	6-(4-chloro-3-methylphenoxy)pyridin-3-amine

A1AYF

A1AYF
Name:	(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Formula:	C8 H9 N O2
SMILES:	O=C1NC(=O)C2CC=CCC12
InChi:	InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(3aR,7aS)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

A1AYQ

A1AYQ
Name:	(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine
Formula:	C8 H8 Cl N3
SMILES:	Clc1cccc2nnc(CC)n12
InChi:	InChI=1S/C8H8ClN3/c1-2-7-10-11-8-5-3-4-6(9)12(7)8/h3-5H,2H2,1H3
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	(4R)-5-chloro-3-ethyl[1,2,4]triazolo[4,3-a]pyridine

A1AYR

A1AYR
Name:	3-(3-bromothiophen-2-yl)-1H-pyrazole
Formula:	C7 H5 Br N2 S
SMILES:	Brc1ccsc1c1n[NH]cc1
InChi:	InChI=1S/C7H5BrN2S/c8-5-2-4-11-7(5)6-1-3-9-10-6/h1-4H,(H,9,10)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	3-(3-bromothiophen-2-yl)-1H-pyrazole

A1AYU

A1AYU
Name:	2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Formula:	C10 H7 F3 N2 O
SMILES:	FC(F)(F)C1=CC(=O)N(N1)c1ccccc1
InChi:	InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,14H
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	2-phenyl-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

A1AYY

A1AYY
Name:	[6-(pyrrolidin-1-yl)pyridin-2-yl]methanol
Formula:	C10 H14 N2 O
SMILES:	OCc1cccc(n1)N1CCCC1
InChi:	InChI=1S/C10H14N2O/c13-8-9-4-3-5-10(11-9)12-6-1-2-7-12/h3-5,13H,1-2,6-8H2
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	[6-(pyrrolidin-1-yl)pyridin-2-yl]methanol

A1AYZ

A1AYZ
Name:	5-methyl-2-(trifluoromethyl)furan-3-carboxamide
Formula:	C7 H6 F3 N O2
SMILES:	O=C(N)c1cc(C)oc1C(F)(F)F
InChi:	InChI=1S/C7H6F3NO2/c1-3-2-4(6(11)12)5(13-3)7(8,9)10/h2H,1H3,(H2,11,12)
Definition date:	2024-07-11
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	5-methyl-2-(trifluoromethyl)furan-3-carboxamide

A1B0W

A1B0W
Name:	N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
Formula:	C22 H27 N3 O2 S
SMILES:	O=C(NCCCN1CCCCCC1)c1cc2C(=O)N(C)c3ccccc3c2s1
InChi:	InChI=1S/C22H27N3O2S/c1-24-18-10-5-4-9-16(18)20-17(22(24)27)15-19(28-20)21(26)23-11-8-14-25-12-6-2-3-7-13-25/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,23,26)
Definition date:	2025-03-18
Last modified:	2025-03-21
Release date:	2025-03-26
Identifier:	N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide

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

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

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

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

9CP

9CP
Name:	(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide
Formula:	C8 H13 N3 O6 S
SMILES:	O=CN1CC(NOS(=O)(=O)O)C(C)=CC1C(N)=O
InChi:	InChI=1S/C8H13N3O6S/c1-5-2-7(8(9)13)11(4-12)3-6(5)10-17-18(14,15)16/h2,4,6-7,10H,3H2,1H3,(H2,9,13)(H,14,15,16)/t6-,7-/m0/s1
Definition date:	2017-04-19
Last modified:	2025-03-19
Release date:	2017-06-07
Identifier:	(2S,5R)-1-formyl-4-methyl-5-[(sulfooxy)amino]-1,2,5,6-tetrahydropyridine-2-carboxamide

A1ELZ

A1ELZ
Name:	[(2R,3R,4R,5R)-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-(fluoranylmethyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C12 H17 F2 N6 O6 P
SMILES:	CNc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[C]3(F)CF
InChi:	InChI=1S/C12H17F2N6O6P/c1-16-8-6-9(19-11(15)18-8)20(4-17-6)10-12(14,3-13)7(21)5(26-10)2-25-27(22,23)24/h4-5,7,10,21H,2-3H2,1H3,(H2,22,23,24)(H3,15,16,18,19)/t5-,7-,10-,12-/m1/s1
Definition date:	2025-02-13
Last modified:	2025-03-17
Release date:	2025-03-19
Identifier:	[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-(methylamino)purin-9-yl]-4-fluoranyl-4-(fluoranylmethyl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate

A1EBD

A1EBD
Name:	piperidine-4-sulfonic acid
Formula:	C5 H11 N O3 S
SMILES:	O[S](=O)(=O)C1CCNCC1
InChi:	InChI=1S/C5H11NO3S/c7-10(8,9)5-1-3-6-4-2-5/h5-6H,1-4H2,(H,7,8,9)
Definition date:	2024-09-02
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	piperidine-4-sulfonic acid

A1EEZ

A1EEZ
Name:	(2~{R},3~{R},4~{S},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoic acid
Formula:	C8 H15 N O7
SMILES:	CC(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)=O
InChi:	InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5?,6+,7+/m0/s1
Synonyms:	2-(acetylamino)-2-deoxy-D-gluconic acid
Definition date:	2024-11-01
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-acetamido-3,4,5,6-tetrakis(oxidanyl)hexanoic acid

A1ITU

A1ITU
Name:	(4S)-4-[(1R)-2-[2-(3-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-16-propyl-3,16-diazatricyclo[16.3.1.1^{6,10}]tricosa-1(21),6,8,10(23),18(22),19-hexaene-2,17-dione
Formula:	C36 H47 N3 O4
SMILES:	CCCN1CCCCCc2cccc(C[CH](NC(=O)c3cccc(c3)C1=O)[CH](O)CNC(C)(C)c4cccc(OC)c4)c2
InChi:	InChI=1S/C36H47N3O4/c1-5-19-39-20-8-6-7-12-26-13-9-14-27(21-26)22-32(38-34(41)28-15-10-16-29(23-28)35(39)42)33(40)25-37-36(2,3)30-17-11-18-31(24-30)43-4/h9-11,13-18,21,23-24,32-33,37,40H,5-8,12,19-20,22,25H2,1-4H3,(H,38,41)/t32-,33+/m0/s1
Definition date:	2024-11-12
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	(4~{S})-4-[(1~{R})-2-[2-(3-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]-16-propyl-3,16-diazatricyclo[16.3.1.1^{6,10}]tricosa-1(21),6,8,10(23),18(22),19-hexaene-2,17-dione

A1AHA

A1AHA
Name:	TMC-95B
Formula:	C33 H40 N6 O10
SMILES:	CCCNC(=O)[CH]1NC(=O)[CH](CC(N)=O)NC(=O)[CH](Cc2ccc(O)c(c2)c3cccc4c3NC(=O)[C]4(O)[CH]1O)NC(=O)C(=O)[CH](C)CC
InChi:	InChI=1S/C33H40N6O10/c1-4-11-35-30(46)25-27(43)33(49)19-8-6-7-17(24(19)39-32(33)48)18-12-16(9-10-22(18)40)13-20(37-31(47)26(42)15(3)5-2)28(44)36-21(14-23(34)41)29(45)38-25/h6-10,12,15,20-21,25,27,40,43,49H,4-5,11,13-14H2,1-3H3,(H2,34,41)(H,35,46)(H,36,44)(H,37,47)(H,38,45)(H,39,48)/t15-,20-,21+,25+,27-,33-/m0/s1
Definition date:	2024-03-06
Last modified:	2025-03-14
Release date:	2025-03-19

A1AIE

A1AIE
Name:	N-{(4M)-4-[5-(aminomethyl)thiophen-2-yl]quinolin-8-yl}-4-[(propan-2-yl)oxy]benzamide
Formula:	C24 H23 N3 O2 S
SMILES:	NCc1ccc(s1)c1ccnc2c1cccc2NC(=O)c1ccc(OC(C)C)cc1
InChi:	InChI=1S/C24H23N3O2S/c1-15(2)29-17-8-6-16(7-9-17)24(28)27-21-5-3-4-20-19(12-13-26-23(20)21)22-11-10-18(14-25)30-22/h3-13,15H,14,25H2,1-2H3,(H,27,28)
Definition date:	2024-03-18
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	N-{(4M)-4-[5-(aminomethyl)thiophen-2-yl]quinolin-8-yl}-4-[(propan-2-yl)oxy]benzamide

A1AIF

A1AIF
Name:	(5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile
Formula:	C25 H22 N4 O
SMILES:	N#Cc1ccc(cn1)c1ccnc2c1cccc2NCc1ccc(OC(C)C)cc1
InChi:	InChI=1S/C25H22N4O/c1-17(2)30-21-10-6-18(7-11-21)15-29-24-5-3-4-23-22(12-13-27-25(23)24)19-8-9-20(14-26)28-16-19/h3-13,16-17,29H,15H2,1-2H3
Definition date:	2024-03-18
Last modified:	2025-03-14
Release date:	2025-03-19
Identifier:	(5M)-5-{8-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]quinolin-4-yl}pyridine-2-carbonitrile

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