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CJ0

CJ0
Name:	N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
Formula:	C9 H15 N5 O
SMILES:	CNc1cc(nc(N)n1)N2CCOCC2
InChi:	InChI=1S/C9H15N5O/c1-11-7-6-8(13-9(10)12-7)14-2-4-15-5-3-14/h6H,2-5H2,1H3,(H3,10,11,12,13)
Definition date:	2019-04-24
Last modified:	2020-10-23
Release date:	2020-10-28
Identifier:	~{N}4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine

CJF

CJF
Name:	N4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
Formula:	C11 H17 N5 O
SMILES:	Nc1nc(NC2CC2)cc(n1)N3CCOCC3
InChi:	InChI=1S/C11H17N5O/c12-11-14-9(13-8-1-2-8)7-10(15-11)16-3-5-17-6-4-16/h7-8H,1-6H2,(H3,12,13,14,15)
Definition date:	2019-04-24
Last modified:	2020-10-23
Release date:	2020-10-28
Identifier:	~{N}4-cyclopropyl-6-morpholin-4-yl-pyrimidine-2,4-diamine

95F

95F
Name:	5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine
Formula:	C11 H18 N4 O
SMILES:	c2(nc(N1CCOCC1)c(c(n2)C)CC)N
InChi:	InChI=1S/C11H18N4O/c1-3-9-8(2)13-11(12)14-10(9)15-4-6-16-7-5-15/h3-7H2,1-2H3,(H2,12,13,14)
Definition date:	2017-12-22
Last modified:	2020-10-23
Release date:	2020-10-28
Identifier:	5-ethyl-4-methyl-6-(morpholin-4-yl)pyrimidin-2-amine

95R

95R
Name:	(4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione
Formula:	C16 H17 N O3
SMILES:	N3C1=C(C(CCC1)=O)C(c2ccccc2OC)CC3=O
InChi:	InChI=1S/C16H17NO3/c1-20-14-8-3-2-5-10(14)11-9-15(19)17-12-6-4-7-13(18)16(11)12/h2-3,5,8,11H,4,6-7,9H2,1H3,(H,17,19)/t11-/m1/s1
Definition date:	2017-12-22
Last modified:	2020-10-23
Release date:	2020-10-28
Identifier:	(4R)-4-(2-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione

YO3

YO3
Name:	YO3-biotin
Formula:	C21 H19 N2 O
SMILES:	CN2C=CC(c1c2cccc1)=[C@H][C@H]=[C@H]c3[n+](c4c(o3)cccc4)C
InChi:	InChI=1S/C21H19N2O/c1-22-15-14-16(17-9-3-4-10-18(17)22)8-7-13-21-23(2)19-11-5-6-12-20(19)24-21/h3-15H,1-2H3/q+1
Synonyms:	3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium
Definition date:	2019-10-17
Last modified:	2020-10-16
Release date:	2020-10-21
Identifier:	3-methyl-2-[(1E,3E)-3-(1-methylquinolin-4(1H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium

VU7

VU7
Name:	6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide
Formula:	C24 H18 F2 N2 O2
SMILES:	CONC(=O)c1c(C)c(nc2c1cc(cc2)F)c4ccc(c3c(cccc3)F)cc4
InChi:	InChI=1S/C24H18F2N2O2/c1-14-22(24(29)28-30-2)19-13-17(25)11-12-21(19)27-23(14)16-9-7-15(8-10-16)18-5-3-4-6-20(18)26/h3-13H,1-2H3,(H,28,29)
Definition date:	2020-09-15
Last modified:	2020-10-16
Release date:	2020-10-21
Identifier:	6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-N-methoxy-3-methylquinoline-4-carboxamide

RQ7

RQ7
Name:	6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid
Formula:	C32 H25 N7 O3 S
SMILES:	N4(c1nc(c(cc1)c2cn(nc2)Cc3ccncc3)C(=O)O)Cc5c(CC4)cccc5C(=O)Nc6nc7c(s6)cccc7
InChi:	InChI=1S/C32H25N7O3S/c40-30(37-32-35-26-6-1-2-7-27(26)43-32)24-5-3-4-21-12-15-38(19-25(21)24)28-9-8-23(29(36-28)31(41)42)22-16-34-39(18-22)17-20-10-13-33-14-11-20/h1-11,13-14,16,18H,12,15,17,19H2,(H,41,42)(H,35,37,40)
Definition date:	2020-02-20
Last modified:	2020-10-16
Release date:	2020-10-21
Identifier:	6-{8-[(1,3-benzothiazol-2-yl)carbamoyl]-3,4-dihydroisoquinolin-2(1H)-yl}-3-{1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-yl}pyridine-2-carboxylic acid

NMW

NMW
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m1/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

NN8

NN8
Name:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
Formula:	C23 H22 N2 O5
SMILES:	COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O
InChi:	InChI=1S/C23H22N2O5/c1-29-20-10-14-7-9-25(23(28)17-6-5-16(26)11-19(17)27)22(15-4-3-8-24-13-15)18(14)12-21(20)30-2/h3-6,8,10-13,22,26-27H,7,9H2,1-2H3/t22-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	[2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone

S7V

S7V
Name:	[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol
Formula:	C12 H17 N O2
SMILES:	c1(ccccc1)CN2CCOC(CO)C2
InChi:	InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1
Definition date:	2020-03-05
Last modified:	2020-10-09
Release date:	2020-04-15
Identifier:	[(2R)-4-benzylmorpholin-2-yl]methanol

LZW

LZW
Name:	(4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H18 N2 O3 S
SMILES:	N[S](=O)(=O)c1ccc2N[CH](C3=C(CCC3)c2c1)c4ccc(O)cc4
InChi:	InChI=1S/C18H18N2O3S/c19-24(22,23)13-8-9-17-16(10-13)14-2-1-3-15(14)18(20-17)11-4-6-12(21)7-5-11/h4-10,18,20-21H,1-3H2,(H2,19,22,23)/t18-/m0/s1
Definition date:	2019-10-01
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	(4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide

ED3

ED3
Name:	3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione
Formula:	C22 H19 Cl N4 O4
SMILES:	Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4Cl
InChi:	InChI=1S/C22H19ClN4O4/c1-11-13(19(28)18-12(2)24-26(4)20(18)29)9-10-16-17(11)21(30)27(22(31)25(16)3)15-8-6-5-7-14(15)23/h5-10,29H,1-4H3
Definition date:	2019-12-11
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione

FKR

FKR
Name:	4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid
Formula:	C18 H14 F N3 O4
SMILES:	CNc1cc(F)cc2C=C(C(=O)Nc3ccc(cc3)C(O)=O)C(=O)Nc12
InChi:	InChI=1S/C18H14FN3O4/c1-20-14-8-11(19)6-10-7-13(17(24)22-15(10)14)16(23)21-12-4-2-9(3-5-12)18(25)26/h2-8,20H,1H3,(H,21,23)(H,22,24)(H,25,26)
Definition date:	2020-05-29
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	4-[[6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid

FKU

FKU
Name:	4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid
Formula:	C21 H22 F N5 O4
SMILES:	CNc1cc(F)cc2c1NC(=O)C(=C2NCCCN)C(=O)Nc3ccc(cc3)C(O)=O
InChi:	InChI=1S/C21H22FN5O4/c1-24-15-10-12(22)9-14-17(15)27-20(29)16(18(14)25-8-2-7-23)19(28)26-13-5-3-11(4-6-13)21(30)31/h3-6,9-10,24H,2,7-8,23H2,1H3,(H,26,28)(H,30,31)(H2,25,27,29)
Definition date:	2020-05-29
Last modified:	2020-10-09
Release date:	2020-10-14
Identifier:	4-[[4-(3-azanylpropylamino)-6-fluoranyl-8-(methylamino)-2-oxidanylidene-1~{H}-quinolin-3-yl]carbonylamino]benzoic acid

PJ4

PJ4
Name:	(1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline
Formula:	C14 H18 Cl N3
SMILES:	c12C(N=C(Cl)Cc1cccc2)N3CCN(CC3)C
InChi:	InChI=1S/C14H18ClN3/c1-17-6-8-18(9-7-17)14-12-5-3-2-4-11(12)10-13(15)16-14/h2-5,14H,6-10H2,1H3
Definition date:	2019-08-07
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline

LWT

LWT
Name:	4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H19 Cl N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccccc4Cl
InChi:	InChI=1S/C18H19ClN2O2S/c19-16-7-2-1-4-14(16)18-13-6-3-5-12(13)15-10-11(24(20,22)23)8-9-17(15)21-18/h1-2,4,7-10,12-13,18,21H,3,5-6H2,(H2,20,22,23)/t12-,13+,18-/m0/s1
Definition date:	2019-09-25
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chlorophenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide

LYQ

LYQ
Name:	(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide
Formula:	C18 H19 Cl N2 O3 S
SMILES:	N[S](=O)(=O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O)cc4Cl
InChi:	InChI=1S/C18H19ClN2O3S/c19-16-8-10(22)4-6-14(16)18-13-3-1-2-12(13)15-9-11(25(20,23)24)5-7-17(15)21-18/h4-9,12-13,18,21-22H,1-3H2,(H2,20,23,24)/t12-,13+,18-/m0/s1
Definition date:	2019-09-28
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide

FQL

FQL
Name:	(2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide
Formula:	C17 H20 Cl2 N4 O3
SMILES:	CN[CH]([CH](C)O)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O
InChi:	InChI=1S/C17H20Cl2N4O3/c1-10(24)15(20-2)16(25)21-5-3-4-6-23-9-22-14-8-13(19)12(18)7-11(14)17(23)26/h3-4,7-10,15,20,24H,5-6H2,1-2H3,(H,21,25)/b4-3+/t10-,15+/m1/s1
Definition date:	2020-06-15
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	(2~{S},3~{R})-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide

FQR

FQR
Name:	[(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate
Formula:	C16 H17 Br Cl N3 O4
SMILES:	C[CH](O)[CH](N)C(=O)OCC=CCN1C=Nc2cc(Br)c(Cl)cc2C1=O
InChi:	InChI=1S/C16H17BrClN3O4/c1-9(22)14(19)16(24)25-5-3-2-4-21-8-20-13-7-11(17)12(18)6-10(13)15(21)23/h2-3,6-9,14,22H,4-5,19H2,1H3/b3-2+/t9-,14+/m1/s1
Definition date:	2020-06-15
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	[(~{E})-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate

FQU

FQU
Name:	5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate
Formula:	C17 H21 Br Cl N3 O4
SMILES:	C[CH](O)[CH](N)C(=O)OCCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O
InChi:	InChI=1S/C17H21BrClN3O4/c1-10(23)15(20)17(25)26-6-4-2-3-5-22-9-21-14-8-12(18)13(19)7-11(14)16(22)24/h7-10,15,23H,2-6,20H2,1H3/t10-,15+/m1/s1
Definition date:	2020-06-15
Last modified:	2020-10-02
Release date:	2020-10-07
Identifier:	5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate

PUJ

PUJ
Name:	(1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium
Formula:	C39 H48 F2 N3 O5 Si
SMILES:	c15c(ccc(c1)N2CC(F)C2)C(c3c(ccc(c3)C(NCCOCCOCCCCCC)=O)C(O)=O)=C6C=CC(=[N+]4/CC(F)C4)C=C6[Si]5(C)C
InChi:	InChI=1S/C39H47F2N3O5Si/c1-4-5-6-7-15-48-17-18-49-16-14-42-38(45)26-8-11-31(39(46)47)34(19-26)37-32-12-9-29(43-22-27(40)23-43)20-35(32)50(2,3)36-21-30(10-13-33(36)37)44-24-28(41)25-44/h8-13,19-21,27-28H,4-7,14-18,22-25H2,1-3H3,(H-,42,45,46,47)/p+1
Synonyms:	JF635
Definition date:	2019-08-23
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	(1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium

VW7

VW7
Name:	N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
Formula:	C12 H16 N2 O
SMILES:	N(c2ccc(C)c1NCCCc12)C(C)=O
InChi:	InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide

VWG

VWG
Name:	N-hydroxyquinoline-2-carboxamide
Formula:	C10 H8 N2 O2
SMILES:	N(O)C(=O)c1ccc2c(n1)cccc2
InChi:	InChI=1S/C10H8N2O2/c13-10(12-14)9-6-5-7-3-1-2-4-8(7)11-9/h1-6,14H,(H,12,13)
Definition date:	2020-09-17
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	N-hydroxyquinoline-2-carboxamide

LR8

LR8
Name:	6-morpholin-4-ylpyridine-3-carboxamide
Formula:	C10 H13 N3 O2
SMILES:	NC(=O)c1ccc(nc1)N2CCOCC2
InChi:	InChI=1S/C10H13N3O2/c11-10(14)8-1-2-9(12-7-8)13-3-5-15-6-4-13/h1-2,7H,3-6H2,(H2,11,14)
Definition date:	2019-09-03
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	6-morpholin-4-ylpyridine-3-carboxamide

LRT

LRT
Name:	5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine
Formula:	C14 H18 N4 O2 S
SMILES:	Nc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3
InChi:	InChI=1S/C14H18N4O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2,(H2,15,17)
Definition date:	2019-09-03
Last modified:	2020-09-25
Release date:	2020-09-30
Identifier:	5-(1,4-diazepan-1-ylsulfonyl)isoquinolin-1-amine

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