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XKG

XKG
Name:	(2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Formula:	C24 H27 N3 O3
SMILES:	Cc1cc(c(c(c1)C)N=C4/C=C3c2c(cc(c(c2)OC)OC)CCN3C(=O)N4C)C
InChi:	InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3/b25-22+
Synonyms:	Trequinsin
Definition date:	2020-12-17
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one

FO0

FO0
Name:	6-azanyl-11-methyl-2-oxidanylidene-N-[(1S)-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide
Formula:	C20 H18 N6 O2
SMILES:	C[CH](NC(=O)c1cc2C(=O)N3C=CC=C(C)C3=Nc2nc1N)c4cccnc4
InChi:	InChI=1S/C20H18N6O2/c1-11-5-4-8-26-18(11)25-17-15(20(26)28)9-14(16(21)24-17)19(27)23-12(2)13-6-3-7-22-10-13/h3-10,12H,1-2H3,(H2,21,24)(H,23,27)/t12-/m0/s1
Definition date:	2020-06-11
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	6-azanyl-11-methyl-2-oxidanylidene-~{N}-[(1~{S})-1-pyridin-3-ylethyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3,5,7,9,11,13-hexaene-5-carboxamide

FTX

FTX
Name:	(1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
Formula:	C21 H21 Cl N2 O3
SMILES:	COc1cc2CCN(C=O)[CH](Cc3c[nH]c4c(Cl)cccc34)c2cc1OC
InChi:	InChI=1S/C21H21ClN2O3/c1-26-19-9-13-6-7-24(12-25)18(16(13)10-20(19)27-2)8-14-11-23-21-15(14)4-3-5-17(21)22/h3-5,9-12,18,23H,6-8H2,1-2H3/t18-/m0/s1
Definition date:	2020-06-15
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(1~{S})-1-[(7-chloranyl-1~{H}-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinoline-2-carbaldehyde

H43

H43
Name:	2-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid
Formula:	C24 H26 N2 O2
SMILES:	C[CH](N[CH]1CCN(C1)c2ccc(CC(O)=O)cc2)c3cccc4ccccc34
InChi:	InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1
Synonyms:	Evocalcet
Definition date:	2020-11-02
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-[4-[(3~{S})-3-[[(1~{R})-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]ethanoic acid

QOZ

QOZ
Name:	2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
Formula:	C25 H28 N4 O3 S
SMILES:	N[S](=O)(=O)c1ccc(NC(=O)CN2CCN(CC2)C(c3ccccc3)c4ccccc4)cc1
InChi:	InChI=1S/C25H28N4O3S/c26-33(31,32)23-13-11-22(12-14-23)27-24(30)19-28-15-17-29(18-16-28)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,25H,15-19H2,(H,27,30)(H2,26,31,32)
Definition date:	2020-07-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide

QTQ

QTQ
Name:	(3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol
Formula:	C4 H8 O4 S
SMILES:	O[CH]1C[S](=O)(=O)C[CH]1O
InChi:	InChI=1S/C4H8O4S/c5-3-1-9(7,8)2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
Definition date:	2020-08-07
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(3~{R},4~{R})-1,1-bis(oxidanylidene)thiolane-3,4-diol

QXE

QXE
Name:	3-hydroxythietane-1,1-dioxide
Formula:	C4 H8 O3 S
SMILES:	O[CH]1CC[S](=O)(=O)C1
InChi:	InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2/t4-/m1/s1
Synonyms:	(3~{R})-1,1-bis(oxidanylidene)thiolan-3-ol
Definition date:	2020-08-19
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(3~{R})-1,1-bis(oxidanylidene)thiolan-3-ol

R1E

R1E
Name:	trans-4,4-difluorocyclopentane-1,2-diol
Formula:	C5 H8 F2 O2
SMILES:	O[CH]1CC(F)(F)C[CH]1O
InChi:	InChI=1S/C5H8F2O2/c6-5(7)1-3(8)4(9)2-5/h3-4,8-9H,1-2H2/t3-,4-/m0/s1
Synonyms:	(1~{S},2~{S})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
Definition date:	2020-08-25
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(1~{S},2~{S})-4,4-bis(fluoranyl)cyclopentane-1,2-diol

R4W

R4W
Name:	1-methylsulfonylethane
Formula:	C3 H8 O2 S
SMILES:	CC[S](C)(=O)=O
InChi:	InChI=1S/C3H8O2S/c1-3-6(2,4)5/h3H2,1-2H3
Synonyms:	trans-3,4-dihydroxysulfolane
Definition date:	2020-09-02
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	1-methylsulfonylethane

RGN

RGN
Name:	(1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol
Formula:	C5 H8 F2 O2
SMILES:	O[CH]1CC(F)(F)C[CH]1O
InChi:	InChI=1S/C5H8F2O2/c6-5(7)1-3(8)4(9)2-5/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
Definition date:	2020-09-29
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(1~{R},2~{R})-4,4-bis(fluoranyl)cyclopentane-1,2-diol

RVK

RVK
Name:	Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere
Formula:	C16 H25 N5 O14 P2
SMILES:	CO[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O
InChi:	InChI=1S/C16H25N5O14P2/c1-30-16-12(25)10(23)7(34-16)3-32-37(28,29)35-36(26,27)31-2-6-9(22)11(24)15(33-6)21-5-20-8-13(17)18-4-19-14(8)21/h4-7,9-12,15-16,22-25H,2-3H2,1H3,(H,26,27)(H,28,29)(H2,17,18,19)/t6-,7-,9-,10-,11-,12-,15-,16+/m1/s1
Synonyms:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Definition date:	2020-10-23
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

S6B

S6B
Name:	3-chloranyl-4-imidazol-1-yl-benzaldehyde
Formula:	C10 H9 Cl N2 O
SMILES:	OCc1ccc(n2ccnc2)c(Cl)c1
InChi:	InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2
Definition date:	2020-11-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(3-chloranyl-4-imidazol-1-yl-phenyl)methanol

SFW

SFW
Name:	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole
Formula:	C17 H13 F3 N2
SMILES:	Cc1ccc(n2ccnc2c3ccccc3)c(c1)C(F)(F)F
InChi:	InChI=1S/C17H13F3N2/c1-12-7-8-15(14(11-12)17(18,19)20)22-10-9-21-16(22)13-5-3-2-4-6-13/h2-11H,1H3
Definition date:	2020-11-16
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	1-[4-methyl-2-(trifluoromethyl)phenyl]-2-phenyl-imidazole

SNK

SNK
Name:	(2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid
Formula:	C8 H11 N3 O3 S
SMILES:	CC(=O)Sc1nc[nH]c1C[CH](N)C(O)=O
InChi:	InChI=1S/C8H11N3O3S/c1-4(12)15-7-6(10-3-11-7)2-5(9)8(13)14/h3,5H,2,9H2,1H3,(H,10,11)(H,13,14)/t5-/m1/s1
Definition date:	2020-11-25
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(2~{R})-2-azanyl-3-(4-ethanoylsulfanyl-1~{H}-imidazol-5-yl)propanoic acid

SQ0

SQ0
Name:	3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione
Formula:	C14 H24 N2 O5
SMILES:	O=C1C(NCCCCCCO)=C(NCCOCCO)C1=O
InChi:	InChI=1S/C14H24N2O5/c17-7-4-2-1-3-5-15-11-12(14(20)13(11)19)16-6-9-21-10-8-18/h15-18H,1-10H2
Definition date:	2021-04-12
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	3-{[2-(2-hydroxyethoxy)ethyl]amino}-4-[(6-hydroxyhexyl)amino]cyclobut-3-ene-1,2-dione

TJ8

TJ8
Name:	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11BrN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Synonyms:	LvD1009
Definition date:	2020-12-22
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-bromanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

TJB

TJB
Name:	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C16 H11 Cl N2 O
SMILES:	Clc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H11ClN2O/c17-15-10-14(7-6-13(15)11-20)19-9-8-18-16(19)12-4-2-1-3-5-12/h1-11H
Synonyms:	LvD1017
Definition date:	2020-12-22
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-chloranyl-4-(2-phenylimidazol-1-yl)benzaldehyde

TJK

TJK
Name:	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde
Formula:	C16 H9 Br2 F N2 O
SMILES:	Fc1ccc(Br)cc1c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H9Br2FN2O/c17-11-2-4-15(19)13(7-11)16-20-5-6-21(16)12-3-1-10(9-22)14(18)8-12/h1-9H
Synonyms:	PC2068B
Definition date:	2020-12-22
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-bromanyl-4-[2-(5-bromanyl-2-fluoranyl-phenyl)imidazol-1-yl]benzaldehyde

TKH

TKH
Name:	[4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-phenyl]methanol
Formula:	C16 H9 Br F2 N2 O
SMILES:	Fc1ccc(c(F)c1)c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H9BrF2N2O/c17-14-8-12(3-1-10(14)9-22)21-6-5-20-16(21)13-4-2-11(18)7-15(13)19/h1-9H
Definition date:	2021-01-05
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-[2-[2,4-bis(fluoranyl)phenyl]imidazol-1-yl]-2-bromanyl-benzaldehyde

TKK

TKK
Name:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
Formula:	C16 H10 Br2 N2 O
SMILES:	Brc1ccccc1c2nccn2c3ccc(C=O)c(Br)c3
InChi:	InChI=1S/C16H10Br2N2O/c17-14-4-2-1-3-13(14)16-19-7-8-20(16)12-6-5-11(10-21)15(18)9-12/h1-10H
Definition date:	2021-01-06
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-bromanyl-4-[2-(2-bromophenyl)imidazol-1-yl]benzaldehyde

TLK

TLK
Name:	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C17 H14 N2 O2
SMILES:	COc1cc(C=O)ccc1n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H14N2O2/c1-21-16-11-13(12-20)7-8-15(16)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3
Definition date:	2021-01-11
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	3-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde

TLQ

TLQ
Name:	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde
Formula:	C20 H14 N2 O
SMILES:	O=Cc1ccc(n2ccnc2c3ccccc3)c4ccccc14
InChi:	InChI=1S/C20H14N2O/c23-14-16-10-11-19(18-9-5-4-8-17(16)18)22-13-12-21-20(22)15-6-2-1-3-7-15/h1-14H
Definition date:	2021-01-11
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-(2-phenylimidazol-1-yl)naphthalene-1-carbaldehyde

TO3

TO3
Name:	N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
Formula:	C20 H15 F4 N3 O4 S
SMILES:	C(=O)(NO)c3ccc(CN(Cc1cnccc1)S(c2cc(c(c(F)c2F)F)F)(=O)=O)cc3
InChi:	InChI=1S/C20H15F4N3O4S/c21-15-8-16(18(23)19(24)17(15)22)32(30,31)27(11-13-2-1-7-25-9-13)10-12-3-5-14(6-4-12)20(28)26-29/h1-9,29H,10-11H2,(H,26,28)
Definition date:	2020-08-07
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide

TQW

TQW
Name:	4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde
Formula:	C17 H17 N O4 S
SMILES:	COc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C17H17NO4S/c1-22-15-6-9-17-14(11-15)3-2-10-18(17)23(20,21)16-7-4-13(12-19)5-8-16/h4-9,11-12H,2-3,10H2,1H3
Definition date:	2021-01-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-[(6-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]benzaldehyde

TVB

TVB
Name:	4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde
Formula:	C17 H17 N O3 S
SMILES:	C[CH]1CCc2ccccc2N1[S](=O)(=O)c3ccc(C=O)cc3
InChi:	InChI=1S/C17H17NO3S/c1-13-6-9-15-4-2-3-5-17(15)18(13)22(20,21)16-10-7-14(12-19)8-11-16/h2-5,7-8,10-13H,6,9H2,1H3/t13-/m1/s1
Definition date:	2021-01-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-[[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]sulfonyl]benzaldehyde

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