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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

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

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

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

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

SY4

SY4
Name:	~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
Formula:	C9 H12 F2 N2 O2 S
SMILES:	CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F
InChi:	InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide

SY7

SY7
Name:	2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine
Formula:	C28 H30 N6 O4
SMILES:	COc1cc(CN2[CH](N[CH]([CH]2c3ccnc(OC)c3)c4ccnc(OC)c4)c5ccnc(OC)c5)ccn1
InChi:	InChI=1S/C28H30N6O4/c1-35-22-13-18(5-9-29-22)17-34-27(20-7-11-31-24(15-20)37-3)26(19-6-10-30-23(14-19)36-2)33-28(34)21-8-12-32-25(16-21)38-4/h5-16,26-28,33H,17H2,1-4H3/t26-,27-,28-/m0/s1
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine

PQ5

PQ5
Name:	7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
Formula:	C17 H16 N4 O4
SMILES:	OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3
InChi:	InChI=1S/C17H16N4O4/c22-17(23)12-2-1-11-9-14(12)25-8-7-24-6-4-18-15-3-5-21-16(20-15)13(11)10-19-21/h1-3,5,9-10H,4,6-8H2,(H,18,20)(H,22,23)
Definition date:	2020-04-27
Last modified:	2020-05-29
Release date:	2020-06-03

SYG

SYG
Name:	2-[(1~{S})-1-azanylpropyl]phenol
Formula:	C9 H13 N O
SMILES:	CC[CH](N)c1ccccc1O
InChi:	InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(1~{S})-1-azanylpropyl]phenol

R8A

R8A
Name:	(2-aminopyridin-3-yl)methanol
Formula:	C6 H8 N2 O
SMILES:	c1nc(N)c(CO)cc1
InChi:	InChI=1S/C6H8N2O/c7-6-5(4-9)2-1-3-8-6/h1-3,9H,4H2,(H2,7,8)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2-aminopyridin-3-yl)methanol

R8P

R8P
Name:	(1S)-1-(4-nitrophenyl)ethan-1-ol
Formula:	C8 H9 N O3
SMILES:	c1cc(ccc1[N+]([O-])=O)C(C)O
InChi:	InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(1S)-1-(4-nitrophenyl)ethan-1-ol

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

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

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

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

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

RBG

RBG
Name:	(2R)-N-tert-butylpiperidine-2-carboxamide
Formula:	C10 H20 N2 O
SMILES:	C(C1CCCCN1)(=O)NC(C)(C)C
InChi:	InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2R)-N-tert-butylpiperidine-2-carboxamide

F0C

F0C
Name:	1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline
Formula:	C17 H21 N O
SMILES:	COc1ccc(CC2=NCCC3=C2CCCC3)cc1
InChi:	InChI=1S/C17H21NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h6-9H,2-5,10-12H2,1H3
Definition date:	2020-03-02
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydroisoquinoline

GES

GES
Name:	3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name)
Formula:	C18 H30 N6 O2
SMILES:	C(NC(c1cc(C(C)(C)C)nn1C)=O)(CC(C)C)C(N(N(C)C#N)C)=O
InChi:	InChI=1S/C18H30N6O2/c1-12(2)9-13(17(26)24(8)22(6)11-19)20-16(25)14-10-15(18(3,4)5)21-23(14)7/h10,12-13H,9H2,1-8H3,(H,20,25)/t13-/m0/s1
Definition date:	2018-05-18
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name)

KPQ

KPQ
Name:	1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
Formula:	C4 H2 F9 N O2 S
SMILES:	N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:	InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)
Definition date:	2019-06-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide

KQT

KQT
Name:	Berberine
Formula:	C28 H27 N2 O4
SMILES:	COc1ccc2c(CCCc3ccncc3)c4c5cc6OCOc6cc5CC[n+]4cc2c1OC
InChi:	InChI=1S/C28H27N2O4/c1-31-24-7-6-20-21(5-3-4-18-8-11-29-12-9-18)27-22-15-26-25(33-17-34-26)14-19(22)10-13-30(27)16-23(20)28(24)32-2/h6-9,11-12,14-16H,3-5,10,13,17H2,1-2H3/q+1
Definition date:	2019-06-18
Last modified:	2020-05-29
Release date:	2020-06-03

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