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UQS

UQS
Name:	N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
Formula:	C10 H10 F N3
SMILES:	n2ncc(NCc1ccccc1F)c2
InChi:	InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine

UQY

UQY
Name:	1-(methylamino)cyclopentane-1-carboxamide
Formula:	C7 H14 N2 O
SMILES:	NC(=O)C1(CCCC1)NC
InChi:	InChI=1S/C7H14N2O/c1-9-7(6(8)10)4-2-3-5-7/h9H,2-5H2,1H3,(H2,8,10)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	1-(methylamino)cyclopentane-1-carboxamide

UR1

UR1
Name:	3-fluoro-5-methylbenzene-1-sulfonamide
Formula:	C7 H8 F N O2 S
SMILES:	c1c(S(N)(=O)=O)cc(C)cc1F
InChi:	InChI=1S/C7H8FNO2S/c1-5-2-6(8)4-7(3-5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	3-fluoro-5-methylbenzene-1-sulfonamide

UR4

UR4
Name:	2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
Formula:	C12 H12 N2 O2 S
SMILES:	n1c(csc1NC(COC)=O)c2ccccc2
InChi:	InChI=1S/C12H12N2O2S/c1-16-7-11(15)14-12-13-10(8-17-12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

UR7

UR7
Name:	1-(3-fluoro-4-methylphenyl)methanesulfonamide
Formula:	C8 H10 F N O2 S
SMILES:	c1(cc(F)c(C)cc1)CS(N)(=O)=O
InChi:	InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12)
Definition date:	2020-05-27
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	1-(3-fluoro-4-methylphenyl)methanesulfonamide

US7

US7
Name:	1-[4-(methylsulfonyl)phenyl]piperazine
Formula:	C11 H16 N2 O2 S
SMILES:	N2CCN(c1ccc(S(=O)(C)=O)cc1)CC2
InChi:	InChI=1S/C11H16N2O2S/c1-16(14,15)11-4-2-10(3-5-11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
Definition date:	2020-05-28
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	1-[4-(methylsulfonyl)phenyl]piperazine

USJ

USJ
Name:	(1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol
Formula:	C9 H11 N O2
SMILES:	c1cc2c(cc1)C(N(C2O)C)O
InChi:	InChI=1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8-9,11-12H,1H3/t8-,9-/m0/s1
Definition date:	2020-05-29
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol

USP

USP
Name:	(2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol
Formula:	C8 H10 N2 O2
SMILES:	c1(ccc2c(c1)OC(O)N2C)N
InChi:	InChI=1S/C8H10N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4,8,11H,9H2,1H3/t8-/m1/s1
Definition date:	2020-05-29
Last modified:	2020-06-05
Release date:	2020-06-10
Identifier:	(2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol

GNJ

GNJ
Name:	4-hydroxy-8-sulfoquinoline-3-carboxylic acid
Formula:	C10 H7 N O6 S
SMILES:	c1c(c2ncc(c(c2cc1)O)C(=O)O)S(O)(=O)=O
InChi:	InChI=1S/C10H7NO6S/c12-9-5-2-1-3-7(18(15,16)17)8(5)11-4-6(9)10(13)14/h1-4H,(H,11,12)(H,13,14)(H,15,16,17)
Definition date:	2018-05-30
Last modified:	2020-06-01
Release date:	2019-05-29
Identifier:	4-hydroxy-8-sulfoquinoline-3-carboxylic acid

0TM

0TM
Name:	2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide
Formula:	C19 H18 Cl N5 O3 S
SMILES:	Clc3cc(OC)c(OC)cc3c1nc(nc2c1c(C#N)cn2)SCC(=O)N(C)C
InChi:	InChI=1S/C19H18ClN5O3S/c1-25(2)15(26)9-29-19-23-17(16-10(7-21)8-22-18(16)24-19)11-5-13(27-3)14(28-4)6-12(11)20/h5-6,8H,9H2,1-4H3,(H,22,23,24)
Definition date:	2012-06-07
Last modified:	2020-06-01
Release date:	2012-10-19
Identifier:	2-{[4-(2-chloro-4,5-dimethoxyphenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-2-yl]sulfanyl}-N,N-dimethylacetamide

4ZN

4ZN
Name:	(2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid
Formula:	C14 H22 N O4 P
SMILES:	NC(c1ccccc1)P(CC(CC(C)C)C(=O)O)(O)=O
InChi:	InChI=1S/C14H22NO4P/c1-10(2)8-12(14(16)17)9-20(18,19)13(15)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,15H2,1-2H3,(H,16,17)(H,18,19)/t12-,13-/m1/s1
Definition date:	2015-07-02
Last modified:	2020-06-01
Release date:	2015-10-07
Identifier:	(2S)-2-{[(R)-[(R)-amino(phenyl)methyl](hydroxy)phosphoryl]methyl}-4-methylpentanoic acid

4M3

4M3
Name:	N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine
Formula:	C23 H25 N5 O7
SMILES:	c1cc(ccc1C(NCCC(NC(C(NC(c2ccccc2)C(O)=O)=O)CC(O)=O)=O)=O)/C(N)=N
InChi:	InChI=1S/C23H25N5O7/c24-20(25)14-6-8-15(9-7-14)21(32)26-11-10-17(29)27-16(12-18(30)31)22(33)28-19(23(34)35)13-4-2-1-3-5-13/h1-9,16,19H,10-12H2,(H3,24,25)(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H,34,35)/t16-,19-/m0/s1
Definition date:	2015-04-14
Last modified:	2020-06-01
Release date:	2015-12-16
Identifier:	N-(4-carbamimidoylbenzoyl)-beta-alanyl-N-[(S)-carboxy(phenyl)methyl]-L-alpha-asparagine

0B1

0B1
Name:	2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one
Formula:	C21 H21 N3 O2
SMILES:	O=C1C=C(N=C(N)N1C)C4CC4c3cccc(c2cccc(OC)c2)c3
InChi:	InChI=1S/C21H21N3O2/c1-24-20(25)12-19(23-21(24)22)18-11-17(18)15-7-3-5-13(9-15)14-6-4-8-16(10-14)26-2/h3-10,12,17-18H,11H2,1-2H3,(H2,22,23)/t17-,18-/m0/s1
Definition date:	2012-07-26
Last modified:	2020-06-01
Release date:	2012-10-19
Identifier:	2-amino-6-[(1S,2R)-2-(3'-methoxybiphenyl-3-yl)cyclopropyl]-3-methylpyrimidin-4(3H)-one

SJP

SJP
Name:	(2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide
Formula:	C27 H52 F N7 O11
SMILES:	FC(CN)C(O)C(=O)NC4C(O)C(OC2OC(C(OC1OC(CN)CCC1N)C2O)CO)C(OC3OC(CN)CCC3N)C(N)C4
InChi:	InChI=1S/C27H52FN7O11/c28-12(8-31)18(37)24(40)35-16-5-15(34)21(44-25-13(32)3-1-10(6-29)41-25)23(19(16)38)46-27-20(39)22(17(9-36)43-27)45-26-14(33)4-2-11(7-30)42-26/h10-23,25-27,36-39H,1-9,29-34H2,(H,35,40)/t10-,11+,12+,13+,14+,15-,16+,17+,18-,19-,20+,21+,22+,23+,25+,26+,27-/m0/s1
Definition date:	2014-03-05
Last modified:	2020-06-01
Release date:	2014-11-05
Identifier:	(2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide

8C1

8C1
Name:	4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide
Formula:	C18 H23 N3 O3
SMILES:	c21cc(OC(C)C)c(cc1nccc2OC3CCCNC3)C(N)=O
InChi:	InChI=1S/C18H23N3O3/c1-11(2)23-17-9-13-15(8-14(17)18(19)22)21-7-5-16(13)24-12-4-3-6-20-10-12/h5,7-9,11-12,20H,3-4,6,10H2,1-2H3,(H2,19,22)/t12-/m1/s1
Definition date:	2017-01-18
Last modified:	2020-06-01
Release date:	2017-05-24
Identifier:	4-{[(3R)-piperidin-3-yl]oxy}-6-[(propan-2-yl)oxy]quinoline-7-carboxamide

8KG

8KG
Name:	2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE
Formula:	C21 H27 N O3
SMILES:	c1c(cccc1)C3(CC(=O)N2CC(O)C2)C4CC5CC3CC(C4)C5O
InChi:	InChI=1S/C21H27NO3/c23-18-11-22(12-18)19(24)10-21(15-4-2-1-3-5-15)16-6-13-7-17(21)9-14(8-16)20(13)25/h1-5,13-14,16-18,20,23,25H,6-12H2/t13-,14+,16-,17+,20-,21-/m1/s1
Definition date:	2017-02-10
Last modified:	2020-06-01
Release date:	2017-11-01
Identifier:	1-(3-hydroxyazetidin-1-yl)-2-[(1R,2S,3S,5R,6S,7S)-6-hydroxy-2-phenyltricyclo[3.3.1.1~3,7~]decan-2-yl]ethan-1-one

OBC

OBC
Name:	2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C24 H19 F O6 S
SMILES:	O=S(=O)(Oc1ccccc1F)C2CC5OC2C(c3ccc(O)cc3)=C5c4ccc(O)cc4
InChi:	InChI=1S/C24H19FO6S/c25-18-3-1-2-4-19(18)31-32(28,29)21-13-20-22(14-5-9-16(26)10-6-14)23(24(21)30-20)15-7-11-17(27)12-8-15/h1-12,20-21,24,26-27H,13H2/t20-,21+,24+/m0/s1
Definition date:	2015-05-07
Last modified:	2020-06-01
Release date:	2016-05-04
Identifier:	2-fluorophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

OBH

OBH
Name:	cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Formula:	C24 H22 O6 S
SMILES:	c1cc(O)ccc1C3=C(c2ccc(O)cc2)C4OC3CC4S(=O)(=O)OC5C=CCC=C5
InChi:	InChI=1S/C24H22O6S/c25-17-10-6-15(7-11-17)22-20-14-21(31(27,28)30-19-4-2-1-3-5-19)24(29-20)23(22)16-8-12-18(26)13-9-16/h2-13,19-21,24-26H,1,14H2/t20-,21+,24+/m0/s1
Definition date:	2015-05-05
Last modified:	2020-06-01
Release date:	2015-09-09
Identifier:	cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

YY1

YY1
Name:	5-methyl-4H-1,2,4-triazole-3-thiol
Formula:	C3 H5 N3 S
SMILES:	Sc1nnc(n1)C
InChi:	InChI=1S/C3H5N3S/c1-2-4-3(7)6-5-2/h1H3,(H2,4,5,6,7)
Definition date:	2014-10-24
Last modified:	2020-05-30
Release date:	2014-11-05
Identifier:	5-methyl-4H-1,2,4-triazole-3-thiol

YY2

YY2
Name:	2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide
Formula:	C14 H21 Cl N2 O3
SMILES:	Clc1cc(cc(OC)c1OCC(=O)NC(C)(C)C)CN
InChi:	InChI=1S/C14H21ClN2O3/c1-14(2,3)17-12(18)8-20-13-10(15)5-9(7-16)6-11(13)19-4/h5-6H,7-8,16H2,1-4H3,(H,17,18)
Definition date:	2014-10-24
Last modified:	2020-05-30
Release date:	2014-11-05
Identifier:	2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-tert-butylacetamide

2XN

2XN
Name:	N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
Formula:	C20 H26 N6 O4 S3
SMILES:	O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C)C
InChi:	InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1
Definition date:	2014-04-08
Last modified:	2020-05-30
Release date:	2014-11-05
Identifier:	N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide

6MO

6MO
Name:	MOLYBDENUM(VI) ION
Formula:	Mo
SMILES:	[Mo+6]
InChi:	InChI=1S/Mo/q+6
Definition date:	1999-07-08
Last modified:	2020-05-30
Identifier:	molybdenum(6+)

UX9

UX9
Name:	methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Formula:	C42 H49 N5 O6
SMILES:	O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccncc1)cc2)CCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C
InChi:	InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1
Definition date:	2011-10-20
Last modified:	2020-05-30
Release date:	2012-11-02
Identifier:	methyl [(1S)-1-{[2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-(4-pyridin-4-ylbenzyl)hydrazino]carbonyl}-2,2-dimethylpropyl]carbamate (non-preferred name)

O3H

O3H
Name:	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one
Formula:	C19 H21 N5 O S
SMILES:	O=C1NC(=Nc2ccccc12)SCCN3CCN(CC3)c4ccccn4
InChi:	InChI=1S/C19H21N5OS/c25-18-15-5-1-2-6-16(15)21-19(22-18)26-14-13-23-9-11-24(12-10-23)17-7-3-4-8-20-17/h1-8H,9-14H2,(H,21,22,25)
Definition date:	2020-01-22
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethylsulfanyl]-3~{H}-quinazolin-4-one

O42

O42
Name:	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
Formula:	C18 H19 N3 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCN(CC2)C(=O)c3ccccc3
InChi:	InChI=1S/C18H19N3O4S/c19-26(24,25)16-8-6-15(7-9-16)18(23)21-12-10-20(11-13-21)17(22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H2,19,24,25)
Definition date:	2020-01-28
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide

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