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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

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

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

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

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)

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+)

R8V

R8V
Name:	(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
Formula:	C9 H9 N O2
SMILES:	c1cc2c(cc1)C(N(C)C2O)=O
InChi:	InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(3S)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one

RNJ

RNJ
Name:	(7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:	C19 H26 N4 S2
SMILES:	C4CCCN(CCCSc1nc(c2c(n1)sc3c2C=CC(C3)C)N)C4
InChi:	InChI=1S/C19H26N4S2/c1-13-6-7-14-15(12-13)25-18-16(14)17(20)21-19(22-18)24-11-5-10-23-8-3-2-4-9-23/h6-7,13H,2-5,8-12H2,1H3,(H2,20,21,22)/t13-/m1/s1
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine

RNM

RNM
Name:	(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:	C18 H26 N4 S2
SMILES:	Nc2nc(SCC1CCCN(C)C1)nc4c2c3CCC(Cc3s4)C
InChi:	InChI=1S/C18H26N4S2/c1-11-5-6-13-14(8-11)24-17-15(13)16(19)20-18(21-17)23-10-12-4-3-7-22(2)9-12/h11-12H,3-10H2,1-2H3,(H2,19,20,21)/t11-,12-/m1/s1
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

R97

R97
Name:	2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine
Formula:	C10 H10 N2 S
SMILES:	C(c1ccccn1)c2nc(C)cs2
InChi:	InChI=1S/C10H10N2S/c1-8-7-13-10(12-8)6-9-4-2-3-5-11-9/h2-5,7H,6H2,1H3
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine

RNV

RNV
Name:	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
Formula:	C18 H27 N5 O S2
SMILES:	C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCC3)=O)N(CC)CC
InChi:	InChI=1S/C18H27N5OS2/c1-3-23(4-2)10-9-20-14(24)11-25-18-21-16(19)15-12-7-5-6-8-13(12)26-17(15)22-18/h3-11H2,1-2H3,(H,20,24)(H2,19,21,22)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide

R9G

R9G
Name:	(3-methoxyphenyl)(pyrrolidin-1-yl)methanone
Formula:	C12 H15 N O2
SMILES:	c2c(C(N1CCCC1)=O)cc(cc2)OC
InChi:	InChI=1S/C12H15NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(3-methoxyphenyl)(pyrrolidin-1-yl)methanone

R9J

R9J
Name:	2-methyl-N-(4-methylphenyl)-L-alanine
Formula:	C11 H15 N O2
SMILES:	c1(ccc(cc1)C)NC(C)(C)C(O)=O
InChi:	InChI=1S/C11H15NO2/c1-8-4-6-9(7-5-8)12-11(2,3)10(13)14/h4-7,12H,1-3H3,(H,13,14)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-methyl-N-(4-methylphenyl)-L-alanine

R9M

R9M
Name:	3-(1,3-thiazol-2-yl)propanoic acid
Formula:	C6 H7 N O2 S
SMILES:	C(C(O)=O)Cc1nccs1
InChi:	InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	3-(1,3-thiazol-2-yl)propanoic acid

TBJ

TBJ
Name:	N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea
Formula:	C11 H20 N2 O2
SMILES:	C2C(NC(NCC1CCCO1)=O)CCC2
InChi:	InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m1/s1
Definition date:	2020-03-19
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	N-cyclopentyl-N'-{[(2R)-oxolan-2-yl]methyl}urea

R9V

R9V
Name:	(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
Formula:	C14 H19 N O
SMILES:	c1ccccc1CN3C2CC(CC3CC2)O
InChi:	InChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol

ROG

ROG
Name:	2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:	C17 H24 N4 S2
SMILES:	C1CCC(CN1C)CSc2nc(c3c(n2)sc4c3CCCC4)N
InChi:	InChI=1S/C17H24N4S2/c1-21-8-4-5-11(9-21)10-22-17-19-15(18)14-12-6-2-3-7-13(12)23-16(14)20-17/h11H,2-10H2,1H3,(H2,18,19,20)/t11-/m0/s1
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

R9Y

R9Y
Name:	1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
Formula:	C11 H16 N2
SMILES:	c12cc(ccc1N(CCC2)C)CN
InChi:	InChI=1S/C11H16N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8,12H2,1H3
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine

RA7

RA7
Name:	[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
Formula:	C8 H12 N2 O2 S
SMILES:	C1CN(CCO1)c2sc(CO)cn2
InChi:	InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol

RB7

RB7
Name:	N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
Formula:	C11 H16 Br N O2 S
SMILES:	c1cc(Br)c(cc1CNCCS(C)(=O)=O)C
InChi:	InChI=1S/C11H16BrNO2S/c1-9-7-10(3-4-11(9)12)8-13-5-6-16(2,14)15/h3-4,7,13H,5-6,8H2,1-2H3
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine

U64

U64
Name:	6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile
Formula:	C25 H23 F2 N5 O2 S
SMILES:	c4(cc(C1(C)C2C(SC(=N1)N)(C2)C(=O)N3CCOCC3)c(F)cc4)[C@H]=C(F)c5ccc(cn5)C#N
InChi:	InChI=1S/C25H23F2N5O2S/c1-24(21-12-25(21,35-23(29)31-24)22(33)32-6-8-34-9-7-32)17-10-15(2-4-18(17)26)11-19(27)20-5-3-16(13-28)14-30-20/h2-5,10-11,14,21H,6-9,12H2,1H3,(H2,29,31)/b19-11-/t21-,24+,25-/m0/s1
Definition date:	2020-04-27
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	6-[(Z)-2-{3-[(1S,5S,6S)-3-amino-5-methyl-1-(morpholine-4-carbonyl)-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl}-1-fluoroethenyl]pyridine-3-carbonitrile

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