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B2F

B2F
Name:	PHENYLALANINE BORONIC ACID
Formula:	C8 H12 B N O2
SMILES:	OB(O)C(N)Cc1ccccc1
InChi:	InChI=1S/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-2-phenylethyl]boronic acid

B2I

B2I
Name:	ISOLEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)C(C)CC
InChi:	InChI=1S/C5H14BNO2/c1-3-4(2)5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t4-,5+/m1/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R,2R)-1-amino-2-methylbutyl]boronic acid

B2V

B2V
Name:	VALINE BORONIC ACID
Formula:	C4 H12 B N O2
SMILES:	OB(O)C(N)C(C)C
InChi:	InChI=1S/C4H12BNO2/c1-3(2)4(6)5(7)8/h3-4,7-8H,6H2,1-2H3/t4-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-2-methylpropyl]boronic acid

BLE

BLE
Name:	LEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)CC(C)C
InChi:	InChI=1S/C5H14BNO2/c1-4(2)3-5(7)6(8)9/h4-5,8-9H,3,7H2,1-2H3/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-3-methylbutyl]boronic acid

BNO

BNO
Name:	NORLEUCINE BORONIC ACID
Formula:	C5 H14 B N O2
SMILES:	OB(O)C(N)CCCC
InChi:	InChI=1S/C5H14BNO2/c1-2-3-4-5(7)6(8)9/h5,8-9H,2-4,7H2,1H3/t5-/m0/s1
Definition date:	1999-07-08
Last modified:	2023-11-03
Identifier:	[(1R)-1-aminopentyl]boronic acid

BOR

BOR
Name:	(1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID
Formula:	C5 H15 B N4 O2
SMILES:	OB(O)C(N)CCCNC(=[N@H])N
InChi:	InChI=1S/C5H15BN4O2/c7-4(6(11)12)2-1-3-10-5(8)9/h4,11-12H,1-3,7H2,(H4,8,9,10)/t4-/m0/s1
Synonyms:	BORO ARGININE
Definition date:	2003-03-24
Last modified:	2023-11-03
Identifier:	[(1R)-1-amino-4-carbamimidamidobutyl]boronic acid

23S

23S
Name:	(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
Definition date:	2004-01-02
Last modified:	2023-11-03
Identifier:	3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine

32S

32S
Name:	(S)-2-AMINO-3-(4H-SELENOLO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 Se
SMILES:	O=C(O)C(N)Cc2c1[se]ccc1nc2
InChi:	InChI=1S/C9H10N2O2Se/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Definition date:	2003-12-30
Last modified:	2023-11-03
Identifier:	3-(4H-selenopheno[3,2-b]pyrrol-6-yl)-L-alanine

32T

32T
Name:	(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC ACID
Formula:	C9 H10 N2 O2 S
SMILES:	O=C(O)C(N)Cc2c1sccc1nc2
InChi:	InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
Definition date:	2003-12-30
Last modified:	2023-11-03
Identifier:	3-(4H-thieno[3,2-b]pyrrol-6-yl)-L-alanine

4AW

4AW
Name:	4-AZATRYPTOPHAN
Formula:	C10 H11 N3 O2
SMILES:	O=C(O)C(N)Cc2c1ncccc1nc2
InChi:	InChI=1S/C10H11N3O2/c11-7(10(14)15)4-6-5-13-8-2-1-3-12-9(6)8/h1-3,5,7,13H,4,11H2,(H,14,15)/t7-/m0/s1
Definition date:	2012-07-16
Last modified:	2023-11-03
Release date:	2013-05-29
Identifier:	3-(1H-pyrrolo[3,2-b]pyridin-3-yl)-L-alanine

66C

66C
Name:	4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine
Formula:	C27 H26 N6 O3
SMILES:	O=C(CCN)N2Cc1ccccc1c4c(c3c2cccc3)nnn4c5ccc(cc5)CC(C(=O)O)N
InChi:	InChI=1S/C27H26N6O3/c28-14-13-24(34)32-16-18-5-1-2-6-20(18)26-25(21-7-3-4-8-23(21)32)30-31-33(26)19-11-9-17(10-12-19)15-22(29)27(35)36/h1-12,22H,13-16,28-29H2,(H,35,36)/t22-/m0/s1
Definition date:	2016-02-03
Last modified:	2023-11-03
Release date:	2016-07-13
Identifier:	4-[8-(beta-alanyl)-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl]-L-phenylalanine

7N8

7N8
Name:	4-Borono-L-phenylalanine
Formula:	C9 H12 B N O4
SMILES:	N[CH](Cc1ccc(cc1)B(O)O)C(O)=O
InChi:	InChI=1S/C9H12BNO4/c11-8(9(12)13)5-6-1-3-7(4-2-6)10(14)15/h1-4,8,14-15H,5,11H2,(H,12,13)/t8-/m0/s1
Definition date:	2016-11-24
Last modified:	2023-11-03
Release date:	2017-10-11
Identifier:	(2~{S})-2-azanyl-3-[4-(dihydroxyboranyl)phenyl]propanoic acid

YT9

YT9
Name:	3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol
Formula:	C7 H15 B N O6
SMILES:	OCC1(N)CO[B-]2(OCC(O)CO2)OC1
InChi:	InChI=1S/C7H15BNO6/c9-7(3-10)4-14-8(15-5-7)12-1-6(11)2-13-8/h6,10-11H,1-5,9H2/q-1/t6-,7-,8-/m0/s1
Definition date:	2023-06-20
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	[(2S)-2-amino-2-[(hydroxy-kappaO)methyl]propane-1,3-diolato(2-)-kappaO~1~][(2S)-propane-1,2,3-triolato(2-)-kappa~2~O~1~,O~3~]borate(1-)

YHL

YHL
Name:	tetrabenazine
Formula:	C19 H27 N O3
SMILES:	CC(C)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O
InChi:	InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1
Synonyms:	(3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
Definition date:	2023-06-17
Last modified:	2023-10-27
Release date:	2023-11-01
Identifier:	(3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one

K16

K16
Name:	Cephaeline
Formula:	C28 H38 N2 O4
SMILES:	CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(O)c(OC)cc45
InChi:	InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1
Synonyms:	(1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
Definition date:	2023-08-10
Last modified:	2023-10-25
Release date:	2023-09-13
Identifier:	(1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol

EBZ

EBZ
Name:	(3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
Formula:	C19 H27 N O3
SMILES:	CC(C)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O
InChi:	InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m0/s1
Definition date:	2023-07-18
Last modified:	2023-10-20
Release date:	2023-10-25
Identifier:	(3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one

XTT

XTT
Name:	6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one
Formula:	C13 H13 N7 O S
SMILES:	Cn1cncc1C1=CN(CCS1)c1ncnc2NC(=O)Nc12
InChi:	InChI=1S/C13H13N7OS/c1-19-7-14-4-8(19)9-5-20(2-3-22-9)12-10-11(15-6-16-12)18-13(21)17-10/h4-7H,2-3H2,1H3,(H2,15,16,17,18,21)
Synonyms:	Aplithianine B
Definition date:	2022-12-07
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	6-[(6P)-6-(1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7,9-dihydro-8H-purin-8-one

N1K

N1K
Name:	N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide
Formula:	C15 H19 N7 O
SMILES:	CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C
InChi:	InChI=1S/C15H19N7O/c1-3-4-5-9-22-10-7-11-12(6-8-16-13(11)22)14(23)17-15-18-19-20-21(15)2/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,20,23)
Definition date:	2023-01-06
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	~{N}-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-carboxamide

1IE

1IE
Name:	~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine
Formula:	C19 H16 N2 S
SMILES:	CSc1cccc(Nc2c3ccccc3[nH]c4cccc24)c1
InChi:	InChI=1S/C19H16N2S/c1-22-14-7-4-6-13(12-14)20-19-15-8-2-3-10-17(15)21-18-11-5-9-16(18)19/h2-12,20-21H,1H3
Definition date:	2022-10-13
Last modified:	2023-10-13
Release date:	2023-10-18
Identifier:	~{N}-(3-methylsulfanylphenyl)-4~{H}-cyclopenta[b]quinolin-9-amine

YR2

YR2
Name:	(3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine
Formula:	C25 H26 N8 O
SMILES:	NC1c2ccccc2OC21CCN(CC2)c1cnc2c(n[NH]c2n1)N1CCCc2ncccc21
InChi:	InChI=1S/C25H26N8O/c26-22-16-5-1-2-8-19(16)34-25(22)9-13-32(14-10-25)20-15-28-21-23(29-20)30-31-24(21)33-12-4-6-17-18(33)7-3-11-27-17/h1-3,5,7-8,11,15,22H,4,6,9-10,12-14,26H2,(H,29,30,31)/t22-/m1/s1
Definition date:	2023-06-20
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	(3R)-1'-[3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3H-spiro[[1]benzofuran-2,4'-piperidin]-3-amine

ZH5

ZH5
Name:	1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine
Formula:	C17 H19 Cl N6 S
SMILES:	CC1(N)CCN(CC1)c1nc2[NH]nc(Sc3ccccc3Cl)c2nc1
InChi:	InChI=1S/C17H19ClN6S/c1-17(19)6-8-24(9-7-17)13-10-20-14-15(21-13)22-23-16(14)25-12-5-3-2-4-11(12)18/h2-5,10H,6-9,19H2,1H3,(H,21,22,23)
Definition date:	2023-06-23
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine

YT2

YT2
Name:	(1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol
Formula:	C28 H32 N8 O
SMILES:	NC1c2ccccc2CC21CCN(CC2)c1nc2[NH]nc(c2nc1C(C)O)N1CCCc2ncccc21
InChi:	InChI=1S/C28H32N8O/c1-17(37)22-26(35-14-10-28(11-15-35)16-18-6-2-3-7-19(18)24(28)29)32-25-23(31-22)27(34-33-25)36-13-5-8-20-21(36)9-4-12-30-20/h2-4,6-7,9,12,17,24,37H,5,8,10-11,13-16,29H2,1H3,(H,32,33,34)/t17-,24+/m0/s1
Definition date:	2023-06-20
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	(1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol

ZJX

ZJX
Name:	1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
Formula:	C17 H18 Cl F N6
SMILES:	CC1(N)CCN(CC1)c1nc2[NH]nc(c2nc1)c1cccc(Cl)c1F
InChi:	InChI=1S/C17H18ClFN6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24)
Definition date:	2023-06-27
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine

YXT

YXT
Name:	ralimetinib
Formula:	C24 H29 F N6
SMILES:	Fc1ccc(cc1)c1nc([NH]c1c1ccc2nc(N)n(CC(C)(C)C)c2n1)C(C)(C)C
InChi:	InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)
Synonyms:	(5P)-5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine
Definition date:	2023-03-03
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	(5P)-5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine

OWO

OWO
Name:	7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine
Formula:	C18 H16 F N5
SMILES:	Cn1nc(C)c(c1C)c2cccc(c2F)c3ccnc4nc[nH]c34
InChi:	InChI=1S/C18H16FN5/c1-10-15(11(2)24(3)23-10)14-6-4-5-12(16(14)19)13-7-8-20-18-17(13)21-9-22-18/h4-9H,1-3H3,(H,20,21,22)
Definition date:	2023-02-17
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine

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