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A1H8U

A1H8U
Name:	[(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid
Formula:	C13 H14 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)Cc2cscc2)[P](O)(O)=O
InChi:	InChI=1S/C13H14NO5PS/c15-11-4-2-1-3-10(11)13(20(17,18)19)14-12(16)7-9-5-6-21-8-9/h1-6,8,13,15H,7H2,(H,14,16)(H2,17,18,19)/t13-/m0/s1
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{R})-(2-hydroxyphenyl)-(2-thiophen-3-ylethanoylamino)methyl]phosphonic acid

A1H8V

A1H8V
Name:	[(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid
Formula:	C16 H18 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)c2scc3CCCCc23)[P](O)(O)=O
InChi:	InChI=1S/C16H18NO5PS/c18-13-8-4-3-7-12(13)16(23(20,21)22)17-15(19)14-11-6-2-1-5-10(11)9-24-14/h3-4,7-9,16,18H,1-2,5-6H2,(H,17,19)(H2,20,21,22)/t16-/m1/s1
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{R})-(2-hydroxyphenyl)-(4,5,6,7-tetrahydro-2-benzothiophen-1-ylcarbonylamino)methyl]phosphonic acid

A1H8Y

A1H8Y
Name:	1-(2,3-dimethoxy-9-methyl-5,6,8,9,10,11-hexahydro-7H-5,9:7,11-dimethanobenzo[9]annulen-7-yl)-3-(1-(tetrahydro-2H-pyran-4-carbonyl)piperidin-4-yl)urea
Formula:	C30 H43 N3 O5
SMILES:	COc1cc2[CH]3CC4(C)C[CH](CC(C3)(C4)NC(=O)NC5CCN(CC5)C(=O)C6CCOCC6)c2cc1OC
InChi:	InChI=1S/C30H43N3O5/c1-29-14-20-16-30(18-29,17-21(15-29)24-13-26(37-3)25(36-2)12-23(20)24)32-28(35)31-22-4-8-33(9-5-22)27(34)19-6-10-38-11-7-19/h12-13,19-22H,4-11,14-18H2,1-3H3,(H2,31,32,35)/t20-,21+,29-,30-
Definition date:	2024-04-20
Last modified:	2025-04-25
Release date:	2025-04-30

A1I03

A1I03
Name:	~{N}-[(2~{S})-2-methyl-2-oxidanyl-3-[[(2~{S})-2-pyrrol-1-ylpropanoyl]amino]propyl]-1~{H}-pyrazole-3-carboxamide
Formula:	C15 H21 N5 O3
SMILES:	C[CH](n1cccc1)C(=O)NC[C](C)(O)CNC(=O)c2cc[nH]n2
InChi:	InChI=1S/C15H21N5O3/c1-11(20-7-3-4-8-20)13(21)16-9-15(2,23)10-17-14(22)12-5-6-18-19-12/h3-8,11,23H,9-10H2,1-2H3,(H,16,21)(H,17,22)(H,18,19)/t11-,15-/m0/s1
Definition date:	2025-02-03
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	~{N}-[(2~{S})-2-methyl-2-oxidanyl-3-[[(2~{S})-2-pyrrol-1-ylpropanoyl]amino]propyl]-1~{H}-pyrazole-3-carboxamide

A1I0O

A1I0O
Name:	4-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid
Formula:	C8 H11 N3 O3
SMILES:	OC(=O)CCCNC(=O)c1cc[nH]n1
InChi:	InChI=1S/C8H11N3O3/c12-7(13)2-1-4-9-8(14)6-3-5-10-11-6/h3,5H,1-2,4H2,(H,9,14)(H,10,11)(H,12,13)
Definition date:	2025-01-31
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	4-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid

A1I2I

A1I2I
Name:	[[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C10 H18 N3 O13 P3
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N=C1N
InChi:	InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)
Definition date:	2025-02-17
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[[(2~{R},3~{S},5~{R})-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

A1I6Z

A1I6Z
Name:	Zidesamtinib
Formula:	C22 H22 F N7 O
SMILES:	CCn1ncc2Cc3nn(C)nc3c4ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12
InChi:	InChI=1S/C22H22FN7O/c1-4-30-21-13(11-26-30)7-18-20(28-29(3)27-18)16-6-5-15(23)9-17(16)12(2)31-19-8-14(21)10-25-22(19)24/h5-6,8-12H,4,7H2,1-3H3,(H2,24,25)/t12-/m1/s1
Definition date:	2025-03-19
Last modified:	2025-04-25
Release date:	2025-04-30

A1IJ9

A1IJ9
Name:	[(S)-(1-benzothiophen-3-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid
Formula:	C16 H14 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)c2csc3ccccc23)[P](O)(O)=O
InChi:	InChI=1S/C16H14NO5PS/c18-13-7-3-1-6-11(13)16(23(20,21)22)17-15(19)12-9-24-14-8-4-2-5-10(12)14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m0/s1
Synonyms:	((Benzo[b]thiophene-3-carboxamido)(2-hydroxyphenyl)methyl)phosphonic acid
Definition date:	2024-08-06
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{S})-(1-benzothiophen-3-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid

A1IKA

A1IKA
Name:	[(S)-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid
Formula:	C16 H14 N O5 P S
SMILES:	Oc1ccccc1[CH](NC(=O)c2sc3ccccc3c2)[P](O)(O)=O
InChi:	InChI=1S/C16H14NO5PS/c18-12-7-3-2-6-11(12)16(23(20,21)22)17-15(19)14-9-10-5-1-4-8-13(10)24-14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m0/s1
Synonyms:	((Benzo[b]thiophene-2-carboxamido)(2-hydroxyphenyl)methyl)phosphonic acid
Definition date:	2024-08-06
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	[(~{S})-(1-benzothiophen-2-ylcarbonylamino)-(2-hydroxyphenyl)methyl]phosphonic acid

A1ILE

A1ILE
Name:	1-(3,5-diethanoyl-1,3,5-triazinan-1-yl)ethanone
Formula:	C9 H15 N3 O3
SMILES:	CC(=O)N1CN(CN(C1)C(C)=O)C(C)=O
InChi:	InChI=1S/C9H15N3O3/c1-7(13)10-4-11(8(2)14)6-12(5-10)9(3)15/h4-6H2,1-3H3
Definition date:	2024-08-15
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	1-(3,5-diethanoyl-1,3,5-triazinan-1-yl)ethanone

A1A0A

A1A0A
Name:	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine
Formula:	C18 H19 F4 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(cc(F)c1F)CN1CCC(F)(F)CC1
InChi:	InChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6M)-6-{5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine

A1A0B

A1A0B
Name:	(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine
Formula:	C14 H15 F2 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cc(F)c1F
InChi:	InChI=1S/C14H15F2N3/c1-8-3-12(19-13(17)4-8)10-5-9(7-18-2)6-11(15)14(10)16/h3-6,18H,7H2,1-2H3,(H2,17,19)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6M)-6-{2,3-difluoro-5-[(methylamino)methyl]phenyl}-4-methylpyridin-2-amine

A1A0E

A1A0E
Name:	(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine
Formula:	C13 H16 N4
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cnc1
InChi:	InChI=1S/C13H16N4/c1-9-3-12(17-13(14)4-9)11-5-10(6-15-2)7-16-8-11/h3-5,7-8,15H,6H2,1-2H3,(H2,14,17)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine

A1A0F

A1A0F
Name:	(6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine
Formula:	C15 H16 F3 N3
SMILES:	Cc1cc(nc(N)c1)c1cc(CNC)cc(c1)C(F)(F)F
InChi:	InChI=1S/C15H16F3N3/c1-9-3-13(21-14(19)4-9)11-5-10(8-20-2)6-12(7-11)15(16,17)18/h3-7,20H,8H2,1-2H3,(H2,19,21)
Definition date:	2024-07-30
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(6P)-4-methyl-6-{3-[(methylamino)methyl]-5-(trifluoromethyl)phenyl}pyridin-2-amine

A1A3F

A1A3F
Name:	(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile
Formula:	C15 H16 N4
SMILES:	Cc1cc(nc(N)c1)c1cc(C#N)cc(CNC)c1
InChi:	InChI=1S/C15H16N4/c1-10-3-14(19-15(17)4-10)13-6-11(8-16)5-12(7-13)9-18-2/h3-7,18H,9H2,1-2H3,(H2,17,19)
Definition date:	2024-08-23
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile

A1A8T

A1A8T
Name:	3-methyl-L-isovaline
Formula:	C6 H13 N O2
SMILES:	CC(C)C(C)(N)C(=O)O
InChi:	InChI=1S/C6H13NO2/c1-4(2)6(3,7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t6-/m0/s1
Definition date:	2024-09-20
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	3-methyl-L-isovaline

5TI

5TI
Name:	5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione
Formula:	C14 H12 N2 O4
SMILES:	COc1ccc(C=CC=C2C(=O)NC(=O)NC2=O)cc1
InChi:	InChI=1S/C14H12N2O4/c1-20-10-7-5-9(6-8-10)3-2-4-11-12(17)15-14(19)16-13(11)18/h2-8H,1H3,(H2,15,16,17,18,19)
Definition date:	2021-08-24
Last modified:	2025-04-25
Release date:	2021-12-29
Identifier:	5-[3-(4-methoxyphenyl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione

A1BW2

A1BW2
Name:	(5P)-5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
Formula:	C23 H23 Cl2 F6 N3 O4 S
SMILES:	O=C(c1nc(sc1c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O)N1CCCC1C
InChi:	InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m0/s1
Definition date:	2025-02-14
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(5P)-5-[2,3-dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2-hydroxy-2-methylpropyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide

A1CAE

A1CAE
Name:	(1R,3R)-3-(3-{2-[4-(methanesulfonyl)phenyl]acetamido}-1H-pyrazol-5-yl)cyclopentyl (1-methylcyclopropyl)carbamate
Formula:	C22 H28 N4 O5 S
SMILES:	O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC2(C)CC2)C1)Cc1ccc(cc1)S(C)(=O)=O
InChi:	InChI=1S/C22H28N4O5S/c1-22(9-10-22)24-21(28)31-16-6-5-15(12-16)18-13-19(26-25-18)23-20(27)11-14-3-7-17(8-4-14)32(2,29)30/h3-4,7-8,13,15-16H,5-6,9-12H2,1-2H3,(H,24,28)(H2,23,25,26,27)/t15-,16-/m1/s1
Definition date:	2025-04-22
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(1R,3R)-3-(3-{2-[4-(methanesulfonyl)phenyl]acetamido}-1H-pyrazol-5-yl)cyclopentyl (1-methylcyclopropyl)carbamate

A1CAF

A1CAF
Name:	(1R,3R)-3-{3-[(cyclohexanecarbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate
Formula:	C21 H32 N4 O3
SMILES:	O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC(C)C2CC2)C1)C1CCCCC1
InChi:	InChI=1S/C21H32N4O3/c1-13(14-7-8-14)22-21(27)28-17-10-9-16(11-17)18-12-19(25-24-18)23-20(26)15-5-3-2-4-6-15/h12-17H,2-11H2,1H3,(H,22,27)(H2,23,24,25,26)/t13-,16+,17+/m0/s1
Definition date:	2025-04-22
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(1R,3R)-3-{3-[(cyclohexanecarbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate

A1CAH

A1CAH
Name:	(1R,3R)-3-{3-[(pyrazine-2-carbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate
Formula:	C19 H24 N6 O3
SMILES:	O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC(C)C2CC2)C1)c1cnccn1
InChi:	InChI=1S/C19H24N6O3/c1-11(12-2-3-12)22-19(27)28-14-5-4-13(8-14)15-9-17(25-24-15)23-18(26)16-10-20-6-7-21-16/h6-7,9-14H,2-5,8H2,1H3,(H,22,27)(H2,23,24,25,26)/t11-,13+,14+/m0/s1
Definition date:	2025-04-22
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(1R,3R)-3-{3-[(pyrazine-2-carbonyl)amino]-1H-pyrazol-5-yl}cyclopentyl [(1S)-1-cyclopropylethyl]carbamate

A1CAI

A1CAI
Name:	(1R,3R)-3-{3-[2-(4-methoxyphenyl)acetamido]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate
Formula:	C21 H28 N4 O4
SMILES:	O=C(Nc1cc([NH]n1)C1CCC(OC(=O)NC(C)C)C1)Cc1ccc(OC)cc1
InChi:	InChI=1S/C21H28N4O4/c1-13(2)22-21(27)29-17-9-6-15(11-17)18-12-19(25-24-18)23-20(26)10-14-4-7-16(28-3)8-5-14/h4-5,7-8,12-13,15,17H,6,9-11H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t15-,17-/m1/s1
Definition date:	2025-04-22
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	(1R,3R)-3-{3-[2-(4-methoxyphenyl)acetamido]-1H-pyrazol-5-yl}cyclopentyl propan-2-ylcarbamate

A1D8V

A1D8V
Name:	5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine
Formula:	C9 H11 Cl N2 O
SMILES:	Clc1ccc(OC[CH]2CCN2)cn1
InChi:	InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m0/s1
Definition date:	2024-06-07
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	5-[[(2~{S})-azetidin-2-yl]methoxy]-2-chloranyl-pyridine

PKX

PKX
Name:	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide
Formula:	C32 H34 N6 O4
SMILES:	Cc1cc(C#N)cc(C)c1Oc1nc(nc2cc(OC)c(OC)cc21)NC1CCN(Cc2ccc(cc2)C(N)=O)CC1
InChi:	InChI=1S/C32H34N6O4/c1-19-13-22(17-33)14-20(2)29(19)42-31-25-15-27(40-3)28(41-4)16-26(25)36-32(37-31)35-24-9-11-38(12-10-24)18-21-5-7-23(8-6-21)30(34)39/h5-8,13-16,24H,9-12,18H2,1-4H3,(H2,34,39)(H,35,36,37)
Definition date:	2022-05-27
Last modified:	2025-04-25
Release date:	2025-04-30
Identifier:	4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-6,7-dimethoxyquinazolin-2-yl]amino}piperidin-1-yl)methyl]benzamide

B7M

B7M
Name:	(10E,12Z)-hexadeca-10,12-dienal
Formula:	C16 H28 O
SMILES:	O=CCCCCCCCCC=CC=C/CCC
InChi:	InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,16H,2-3,8-15H2,1H3/b5-4-,7-6+
Definition date:	2009-03-12
Last modified:	2025-04-24
Identifier:	(10E,12Z)-hexadeca-10,12-dienal

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