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6XP

6XP
Name:	(2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide
Formula:	C18 H18 Cl N3 O3
SMILES:	Clc1ccc(c2c1C(C(=O)N2)NNC(=O)C(c3ccc(O)cc3)C)C
InChi:	InChI=1S/C18H18ClN3O3/c1-9-3-8-13(19)14-15(9)20-18(25)16(14)21-22-17(24)10(2)11-4-6-12(23)7-5-11/h3-8,10,16,21,23H,1-2H3,(H,20,25)(H,22,24)/t10-,16?/m0/s1
Definition date:	2011-08-31
Last modified:	2024-09-06
Identifier:	(2S)-N'-[(3R)-4-chloro-7-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl]-2-(4-hydroxyphenyl)propanehydrazide

GND

GND
Name:	2-AMINO-5-GUANIDINO-PENTANOIC ACID
Formula:	C6 H15 N4 O2
SMILES:	O=C(O)C(CCCNC(=[N@H])N)[NH3+]
InChi:	InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
Synonyms:	L-argininium(2+)
Definition date:	2003-01-17
Last modified:	2024-09-05
Identifier:	(1S)-4-carbamimidamido-1-carboxybutan-1-aminium

4AI

4AI
Name:	(3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Formula:	C33 H44 N6 O4
SMILES:	NC(=N)NCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC4CCCCC4
InChi:	InChI=1S/C33H44N6O4/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36)/t27-,28-/m0/s1
Synonyms:	PS372424
Definition date:	2023-01-05
Last modified:	2024-09-02
Release date:	2023-11-29
Identifier:	(3~{S})-~{N}-[(2~{S})-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide

X1F

X1F
Name:	5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Formula:	C15 H23 N O11
SMILES:	OC(=O)C1(O)CC(O)C(NC(C)=O)C(O1)C(OC(C)=O)C(O)COC(C)=O
InChi:	InChI=1S/C15H23NO11/c1-6(17)16-11-9(20)4-15(24,14(22)23)27-13(11)12(26-8(3)19)10(21)5-25-7(2)18/h9-13,20-21,24H,4-5H2,1-3H3,(H,16,17)(H,22,23)/t9-,10+,11+,12+,13+,15+/m0/s1
Definition date:	2023-10-18
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

KF8

KF8
Name:	N-[(3S)-piperidin-3-yl]benzamide
Formula:	C12 H16 N2 O
SMILES:	O=C(NC1CCCNC1)c1ccccc1
InChi:	InChI=1S/C12H16N2O/c15-12(10-5-2-1-3-6-10)14-11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m0/s1
Definition date:	2023-08-11
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	N-[(3S)-piperidin-3-yl]benzamide

A1ADE

A1ADE
Name:	methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate
Formula:	C25 H21 Cl N4 O4
SMILES:	O=C(OC)c1cc(ccc1Cl)N(C)C(=O)c1ccn2ncc(c2c1)c1ccc(cc1)C(=O)NC
InChi:	InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
Definition date:	2024-01-20
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	methyl 2-chloro-5-(methyl{(8R)-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl}amino)benzoate

XJF

XJF
Name:	[(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-quinolin-4a-yl]methyl N-phenylcarbamate
Formula:	C17 H24 N2 O2
SMILES:	O=C(Nc1ccccc1)OC[C]23CCCC[CH]2NCCC3
InChi:	InChI=1S/C17H24N2O2/c20-16(19-14-7-2-1-3-8-14)21-13-17-10-5-4-9-15(17)18-12-6-11-17/h1-3,7-8,15,18H,4-6,9-13H2,(H,19,20)/t15-,17+/m1/s1
Definition date:	2023-11-02
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	[(4~{a}~{R},8~{a}~{R})-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-quinolin-4~{a}-yl]methyl ~{N}-phenylcarbamate

UB0

UB0
Name:	(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid
Formula:	C46 H49 Cl N6 O12 S2
SMILES:	O=C1NC(=O)CCC1N1c2ccc(cc2OC1=O)C1CCN(CC1)CC(=O)Nc1cccc(c1)CS(=O)(=O)N1CCC(CC1(C)C)Nc1cccc(c1)c1sc(c(OCC(=O)O)c1Cl)C(=O)O
InChi:	InChI=1S/C46H49ClN6O12S2/c1-46(2)22-32(48-31-8-4-6-29(20-31)41-39(47)40(64-24-38(56)57)42(66-41)44(59)60)15-18-52(46)67(62,63)25-26-5-3-7-30(19-26)49-37(55)23-51-16-13-27(14-17-51)28-9-10-33-35(21-28)65-45(61)53(33)34-11-12-36(54)50-43(34)58/h3-10,19-21,27,32,34,48H,11-18,22-25H2,1-2H3,(H,49,55)(H,56,57)(H,59,60)(H,50,54,58)/t32-,34+/m0/s1
Definition date:	2023-08-31
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[2-(4-{3-[(3R)-2,6-dioxopiperidin-3-yl]-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl}piperidin-1-yl)acetamido]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid

VWF

VWF
Name:	1H-benzotriazole-5-carbonitrile
Formula:	C7 H4 N4
SMILES:	N#Cc1ccc2[nH]nnc2c1
InChi:	InChI=1S/C7H4N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,(H,9,10,11)
Synonyms:	5-cyanobenzotriazole
Definition date:	2023-08-30
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	1~{H}-benzotriazole-5-carbonitrile

X6R

X6R
Name:	6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine
Formula:	C16 H11 F N4
SMILES:	Nc1c2cc(ncc2ccc1F)n1ccc2ccncc21
InChi:	InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2
Definition date:	2023-10-24
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine

YD9

YD9
Name:	(7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
Formula:	C20 H16 F2 N6 O3
SMILES:	Fc1cc(cc(F)c1O)Nc1ncc2N(Cc3ccno3)C(=O)C(C)N(CC#C)c2n1
InChi:	InChI=1S/C20H16F2N6O3/c1-3-6-27-11(2)19(30)28(10-13-4-5-24-31-13)16-9-23-20(26-18(16)27)25-12-7-14(21)17(29)15(22)8-12/h1,4-5,7-9,11,29H,6,10H2,2H3,(H,23,25,26)/t11-/m0/s1
Definition date:	2023-12-01
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	(7S)-2-(3,5-difluoro-4-hydroxyanilino)-7-methyl-5-[(1,2-oxazol-5-yl)methyl]-8-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one

A1AWU

A1AWU
Name:	[(2~{R},3~{R},4~{R},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [(2~{R},3~{R},4~{S},5~{R})-2-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
Formula:	C20 H25 N10 O11 P
SMILES:	NC1=Nc2c(ncn2C2OC(CO)C(O)C2OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(=O)N1
InChi:	InChI=1S/C20H25N10O11P/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(34)10(32)7(40-18)2-38-42(36,37)41-13-11(33)6(1-31)39-19(13)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H2,21,23,24)(H3,22,27,28,35)
Definition date:	2024-07-08
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	(2S,3R,4R,5S)-2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl [(2R,3R,4S,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen (S)-phosphate (non-preferred name)

V6X

V6X
Name:	4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine
Formula:	C21 H16 N4 O2
SMILES:	Cc1cc(Oc2nccc3occc23)ccc1c4n5ccnc5cnc4C
InChi:	InChI=1S/C21H16N4O2/c1-13-11-15(27-21-17-6-10-26-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-25(19)20/h3-12H,1-2H3
Synonyms:	PF-6142
Definition date:	2023-07-07
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	4-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]furo[3,2-c]pyridine

A1AZR

A1AZR
Name:	2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid
Formula:	C37 H40 N4 O11 S2
SMILES:	O=S(=O)(Nc1ccc(NC(=O)CCC(=O)Nc2cc(C(=O)O)c(NS(=O)(=O)c3ccc(CCCC)cc3)cc2)cc1C(=O)O)c1ccc(CCOC)cc1
InChi:	InChI=1S/C37H40N4O11S2/c1-3-4-5-24-6-12-28(13-7-24)53(48,49)40-32-16-10-26(22-30(32)36(44)45)38-34(42)18-19-35(43)39-27-11-17-33(31(23-27)37(46)47)41-54(50,51)29-14-8-25(9-15-29)20-21-52-2/h6-17,22-23,40-41H,3-5,18-21H2,1-2H3,(H,38,42)(H,39,43)(H,44,45)(H,46,47)
Definition date:	2024-07-24
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	2-(4-butylbenzene-1-sulfonamido)-5-(4-{3-carboxy-4-[4-(2-methoxyethyl)benzene-1-sulfonamido]anilino}-4-oxobutanamido)benzoic acid

W1Q

W1Q
Name:	(2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
Formula:	C19 H18 F N5 O3 S
SMILES:	Nc1ncnc2cc(cc(F)c12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4
InChi:	InChI=1S/C19H18FN5O3S/c20-14-8-12(9-16-17(14)18(21)24-10-23-16)11-3-1-4-13(7-11)29(27,28)25-19(26)15-5-2-6-22-15/h1,3-4,7-10,15,22H,2,5-6H2,(H,25,26)(H2,21,23,24)/t15-/m1/s1
Definition date:	2023-09-12
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	(2~{S})-~{N}-[3-(4-azanyl-5-fluoranyl-quinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide

W20

W20
Name:	(2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide
Formula:	C19 H17 F2 N5 O3 S
SMILES:	Nc1ncnc2c(F)c(ccc12)c3ccc(F)c(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4
InChi:	InChI=1S/C19H17F2N5O3S/c20-13-6-3-10(11-4-5-12-17(16(11)21)24-9-25-18(12)22)8-15(13)30(28,29)26-19(27)14-2-1-7-23-14/h3-6,8-9,14,23H,1-2,7H2,(H,26,27)(H2,22,24,25)
Definition date:	2023-09-12
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	(2~{S})-~{N}-[5-(4-azanyl-8-fluoranyl-quinazolin-7-yl)-2-fluoranyl-phenyl]sulfonylpyrrolidine-2-carboxamide

R89

R89
Name:	11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one
Formula:	C24 H20 Cl F3 N4 O
SMILES:	FC(F)(F)c1ccc(CN2C(=O)C3=C(CCN(Cc4cccc(Cl)c4)C3)n5ccnc25)cc1
InChi:	InChI=1S/C24H20ClF3N4O/c25-19-3-1-2-17(12-19)13-30-10-8-21-20(15-30)22(33)32(23-29-9-11-31(21)23)14-16-4-6-18(7-5-16)24(26,27)28/h1-7,9,11-12H,8,10,13-15H2
Definition date:	2023-09-05
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	11-[(3-chlorophenyl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-2,5,7,11-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5-trien-8-one

WAR

WAR
Name:	~{N}-[(2~{S},3~{S},4~{R})-1,3,4-tris(oxidanyl)octadecan-2-yl]heptacosanamide
Formula:	C45 H91 N O4
SMILES:	CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCCCCCCCCC
InChi:	InChI=1S/C45H91NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-44(49)46-42(41-47)45(50)43(48)39-37-35-33-31-29-16-14-12-10-8-6-4-2/h42-43,45,47-48,50H,3-41H2,1-2H3,(H,46,49)/t42-,43+,45-/m0/s1
Definition date:	2023-10-03
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	~{N}-[(2~{S},3~{S},4~{R})-1,3,4-tris(oxidanyl)octadecan-2-yl]heptacosanamide

WC3

WC3
Name:	2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-methyl-N-[(2-methylpyridin-3-yl)methyl]ethanamide
Formula:	C26 H28 N6 O3
SMILES:	COc1ccc(cc1)c2cc(OCC(=O)N(C)Cc3cccnc3C)nc(n2)n4nc(C)cc4C
InChi:	InChI=1S/C26H28N6O3/c1-17-13-18(2)32(30-17)26-28-23(20-8-10-22(34-5)11-9-20)14-24(29-26)35-16-25(33)31(4)15-21-7-6-12-27-19(21)3/h6-14H,15-16H2,1-5H3
Definition date:	2023-05-10
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	2-[2-(3,5-dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-~{N}-methyl-~{N}-[(2-methylpyridin-3-yl)methyl]ethanamide

K8L

K8L
Name:	N-[(1,3-thiazol-5-yl)methyl]acetamide
Formula:	C6 H8 N2 O S
SMILES:	O=C(C)NCc1cncs1
InChi:	InChI=1S/C6H8N2OS/c1-5(9)8-3-6-2-7-4-10-6/h2,4H,3H2,1H3,(H,8,9)
Definition date:	2023-08-10
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	N-[(1,3-thiazol-5-yl)methyl]acetamide

K96

K96
Name:	N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
Formula:	C10 H18 N2 O3
SMILES:	O=C(NCC1CCCO1)N1CCOCC1
InChi:	InChI=1S/C10H18N2O3/c13-10(12-3-6-14-7-4-12)11-8-9-2-1-5-15-9/h9H,1-8H2,(H,11,13)
Definition date:	2023-08-10
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide

K9N

K9N
Name:	N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide
Formula:	C10 H14 N2 O S
SMILES:	O=C(NCc1nc(C)cs1)C1CCC1
InChi:	InChI=1S/C10H14N2OS/c1-7-6-14-9(12-7)5-11-10(13)8-3-2-4-8/h6,8H,2-5H2,1H3,(H,11,13)
Definition date:	2023-08-10
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclobutanecarboxamide

KA3

KA3
Name:	N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide
Formula:	C11 H20 N2 O2
SMILES:	O=C(NCC1CC1)N1CCC(OC)CC1
InChi:	InChI=1S/C11H20N2O2/c1-15-10-4-6-13(7-5-10)11(14)12-8-9-2-3-9/h9-10H,2-8H2,1H3,(H,12,14)
Definition date:	2023-08-10
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	N-(cyclopropylmethyl)-4-methoxypiperidine-1-carboxamide

VNG

VNG
Name:	N-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide
Formula:	C15 H12 N4 O2 S
SMILES:	O=C(Nc1cc(ccn1)c2sc(cc2)c3nocn3)C4CC4
InChi:	InChI=1S/C15H12N4O2S/c20-15(9-1-2-9)18-13-7-10(5-6-16-13)11-3-4-12(22-11)14-17-8-21-19-14/h3-9H,1-2H2,(H,16,18,20)
Definition date:	2023-09-14
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	~{N}-[4-[5-(1,2,4-oxadiazol-3-yl)thiophen-2-yl]pyridin-2-yl]cyclopropanecarboxamide

KB3

KB3
Name:	(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Formula:	C9 H9 N3 O2
SMILES:	Nc1nnc(o1)c1ccccc1OC
InChi:	InChI=1S/C9H9N3O2/c1-13-7-5-3-2-4-6(7)8-11-12-9(10)14-8/h2-5H,1H3,(H2,10,12)
Definition date:	2023-08-10
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	(5M)-5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine

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