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UKD

UKD
Name:	3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
Formula:	C5 H9 N4 O5 P
SMILES:	OP(=O)(O)c1nnn(c1)CC(N)C(O)=O
InChi:	InChI=1S/C5H9N4O5P/c6-3(5(10)11)1-9-2-4(7-8-9)15(12,13)14/h2-3H,1,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1
Synonyms:	pHis
Definition date:	2020-05-20
Last modified:	2023-11-03
Release date:	2021-02-03
Identifier:	3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine

UKY

UKY
Name:	3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
Formula:	C5 H9 N4 O5 P
SMILES:	C(O)(C(N)Cn1c(P(=O)(O)O)cnn1)=O
InChi:	InChI=1S/C5H9N4O5P/c6-3(5(10)11)2-9-4(1-7-8-9)15(12,13)14/h1,3H,2,6H2,(H,10,11)(H2,12,13,14)/t3-/m0/s1
Definition date:	2020-05-20
Last modified:	2023-11-03
Release date:	2021-02-03
Identifier:	3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine

UQ4

UQ4
Name:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
Formula:	C9 H8 N4 O5
SMILES:	C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O
InChi:	InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15)
Definition date:	2020-05-27
Last modified:	2023-11-03
Release date:	2020-06-03
Identifier:	N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine

URL

URL
Name:	[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid
Formula:	C7 H16 N2 O2
SMILES:	CC(C)C[CH](N)CNC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-5(2)3-6(8)4-9-7(10)11/h5-6,9H,3-4,8H2,1-2H3,(H,10,11)/t6-/m0/s1
Definition date:	2018-08-22
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	[(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid

URV

URV
Name:	[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
Formula:	C6 H14 N2 O2
SMILES:	CC(C)[CH](N)CNC(O)=O
InChi:	InChI=1S/C6H14N2O2/c1-4(2)5(7)3-8-6(9)10/h4-5,8H,3,7H2,1-2H3,(H,9,10)/t5-/m1/s1
Definition date:	2019-10-12
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	[(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid

UU4

UU4
Name:	(2S)-2-amino-4-(L-serylamino)butanoic acid
Formula:	C7 H15 N3 O4
SMILES:	O=C(NCCC(C(=O)O)N)C(N)CO
InChi:	InChI=1S/C7H15N3O4/c8-4(7(13)14)1-2-10-6(12)5(9)3-11/h4-5,11H,1-3,8-9H2,(H,10,12)(H,13,14)/t4-,5-/m0/s1
Definition date:	2012-11-14
Last modified:	2023-11-03
Release date:	2013-08-21
Identifier:	(2S)-2-amino-4-(L-serylamino)butanoic acid

UU5

UU5
Name:	(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid
Formula:	C6 H10 N2 O4
SMILES:	O=C(O)C(N)CCNC(=O)C=O
InChi:	InChI=1S/C6H10N2O4/c7-4(6(11)12)1-2-8-5(10)3-9/h3-4H,1-2,7H2,(H,8,10)(H,11,12)/t4-/m0/s1
Definition date:	2012-11-12
Last modified:	2023-11-03
Release date:	2013-08-21
Identifier:	(2S)-2-amino-4-[(oxoacetyl)amino]butanoic acid

UX8

UX8
Name:	(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid
Formula:	C11 H12 N2 O3
SMILES:	N[CH]([CH](O)c1c[nH]c2ccccc12)C(O)=O
InChi:	InChI=1S/C11H12N2O3/c12-9(11(15)16)10(14)7-5-13-8-4-2-1-3-6(7)8/h1-5,9-10,13-14H,12H2,(H,15,16)/t9-,10+/m0/s1
Definition date:	2021-03-25
Last modified:	2023-11-03
Release date:	2021-04-21
Identifier:	(2~{S},3~{R})-2-azanyl-3-(1~{H}-indol-3-yl)-3-oxidanyl-propanoic acid

UXQ

UXQ
Name:	(2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid
Formula:	C12 H15 Cl N2 O3
SMILES:	N[CH](Cc1ccc(CNC(=O)CCl)cc1)C(O)=O
InChi:	InChI=1S/C12H15ClN2O3/c13-6-11(16)15-7-9-3-1-8(2-4-9)5-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1
Definition date:	2021-03-26
Last modified:	2023-11-03
Release date:	2021-10-13
Identifier:	(2~{S})-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid

UXS

UXS
Name:	(2S)-2-amino-4-(methylsulfanyl)butan-1-ol
Formula:	C5 H13 N O S
SMILES:	C(C(N)CCSC)O
InChi:	InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
Definition date:	2020-06-04
Last modified:	2023-11-03
Release date:	2020-06-17
Identifier:	(2S)-2-amino-4-(methylsulfanyl)butan-1-ol

UXY

UXY
Name:	(4R)-4-hydroxy-L-lysine
Formula:	C6 H14 N2 O3
SMILES:	NC(C(O)=O)CC(CCN)O
InChi:	InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1
Definition date:	2020-06-04
Last modified:	2023-11-03
Release date:	2020-10-07
Identifier:	(4R)-4-hydroxy-L-lysine

UZ1

UZ1
Name:	cyclopropanamine
Formula:	C3 H7 N
SMILES:	NC1CC1
InChi:	InChI=1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
Definition date:	2020-06-08
Last modified:	2023-11-03
Release date:	2020-06-17
Identifier:	cyclopropanamine

UZ4

UZ4
Name:	(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid
Formula:	C8 H14 N2 O4
SMILES:	NC(C(O)C(O)=O)CC1CCNC1=O
InChi:	InChI=1S/C8H14N2O4/c9-5(6(11)8(13)14)3-4-1-2-10-7(4)12/h4-6,11H,1-3,9H2,(H,10,12)(H,13,14)/t4-,5-,6+/m0/s1
Definition date:	2020-06-08
Last modified:	2023-11-03
Release date:	2020-06-17
Identifier:	(2R,3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanoic acid

UZ7

UZ7
Name:	phenyl hydrogen carbonate
Formula:	C7 H6 O3
SMILES:	c1cc(ccc1)OC(O)=O
InChi:	InChI=1S/C7H6O3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H,8,9)
Definition date:	2020-06-08
Last modified:	2023-11-03
Release date:	2020-06-17
Identifier:	phenyl hydrogen carbonate

UZA

UZA
Name:	(2S,6E)-2-amino-2-methylnon-6-enoic acid
Formula:	C10 H19 N O2
SMILES:	NC(C(=O)O)(C)CCCC=CCC
InChi:	InChI=1S/C10H19NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h4-5H,3,6-8,11H2,1-2H3,(H,12,13)/b5-4+/t10-/m0/s1
Definition date:	2020-06-08
Last modified:	2023-11-03
Release date:	2020-07-22
Identifier:	(2S,6E)-2-amino-2-methylnon-6-enoic acid

UZN

UZN
Name:	[(2~{S})-2-azanylhexyl]carbamic acid
Formula:	C7 H16 N2 O2
SMILES:	CCCC[CH](N)CNC(O)=O
InChi:	InChI=1S/C7H16N2O2/c1-2-3-4-6(8)5-9-7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
Definition date:	2019-10-12
Last modified:	2023-11-03
Release date:	2021-02-17
Identifier:	[(2~{S})-2-azanylhexyl]carbamic acid

KX0

KX0
Name:	Tinengotinib
Formula:	C20 H19 Cl N6 O
SMILES:	Cc1[nH]nc2Nc3cc(ncc3C(=Nc12)c4ccccc4Cl)N5CCOCC5
InChi:	InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26)
Synonyms:	4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine
Definition date:	2022-10-26
Last modified:	2023-11-02
Release date:	2023-10-25
Identifier:	4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine

XO9

XO9
Name:	1,3-benzothiazole-2(3H)-thione
Formula:	C7 H5 N S2
SMILES:	S=C1Nc2ccccc2S1
InChi:	InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
Synonyms:	2-mercaptobenzothiazole, thione tautomer
Definition date:	2022-12-02
Last modified:	2023-11-02
Release date:	2023-03-01
Identifier:	1,3-benzothiazole-2(3H)-thione

R6F

R6F
Name:	methopterin
Formula:	C20 H21 N7 O6
SMILES:	O=C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1)N(C)Cc1cnc2N=C(N)NC(=O)c2n1
InChi:	InChI=1S/C20H21N7O6/c1-27(9-11-8-22-16-15(23-11)18(31)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H3,21,22,25,26,31)/t13-/m0/s1
Synonyms:	N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid
Definition date:	2022-06-21
Last modified:	2023-11-02
Release date:	2023-06-21
Identifier:	N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid

X4U

X4U
Name:	Citarinostat
Formula:	C24 H26 Cl N5 O3
SMILES:	ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c1ccccc1Cl)c1ccccc1
InChi:	InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)
Synonyms:	2-[(2-chlorophenyl)(phenyl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
Definition date:	2023-05-31
Last modified:	2023-11-01
Release date:	2023-09-06
Identifier:	2-[(2-chlorophenyl)(phenyl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

OJ0

OJ0
Name:	Levobupivacaine
Formula:	C18 H28 N2 O
SMILES:	CCCCN1CCCC[CH]1C(=O)Nc2c(C)cccc2C
InChi:	InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1
Synonyms:	(2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide
Definition date:	2023-02-04
Last modified:	2023-11-01
Release date:	2023-06-14
Identifier:	(2~{S})-1-butyl-~{N}-(2,6-dimethylphenyl)piperidine-2-carboxamide

PJO

PJO
Name:	Benziodarone
Formula:	C17 H12 I2 O3
SMILES:	CCc1oc2ccccc2c1C(=O)c3cc(I)c(O)c(I)c3
InChi:	InChI=1S/C17H12I2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
Synonyms:	Amplivix
Definition date:	2023-03-06
Last modified:	2023-11-01
Release date:	2023-06-28
Identifier:	[3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone

T70

T70
Name:	PF-05089771
Formula:	C18 H12 Cl2 F N5 O3 S2
SMILES:	Nc1[nH]ncc1c2cc(Cl)ccc2Oc3cc(F)c(cc3Cl)[S](=O)(=O)Nc4cscn4
InChi:	InChI=1S/C18H12Cl2FN5O3S2/c19-9-1-2-14(10(3-9)11-6-24-25-18(11)22)29-15-5-13(21)16(4-12(15)20)31(27,28)26-17-7-30-8-23-17/h1-8,26H,(H3,22,24,25)
Synonyms:	4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
Definition date:	2023-04-20
Last modified:	2023-11-01
Release date:	2023-06-14
Identifier:	4-[2-(5-azanyl-1~{H}-pyrazol-4-yl)-4-chloranyl-phenoxy]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide

T7F

T7F
Name:	Vinpocetine
Formula:	C22 H26 N2 O2
SMILES:	CCOC(=O)C1=C[C]2(CC)CCCN3CCc4c5ccccc5n1c4[CH]23
InChi:	InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
Synonyms:	Ethyl apovincaminate
Definition date:	2023-04-20
Last modified:	2023-11-01
Release date:	2023-06-14

TB4

TB4
Name:	Vixotrigine
Formula:	C18 H19 F N2 O2
SMILES:	NC(=O)[CH]1CC[CH](N1)c2ccc(OCc3ccccc3F)cc2
InChi:	InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1
Synonyms:	(2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
Definition date:	2023-04-21
Last modified:	2023-11-01
Release date:	2023-06-14
Identifier:	(2~{S},5~{R})-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide

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