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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

QXB

QXB
Name:	sulfolane
Formula:	C4 H8 O2 S
SMILES:	O=[S]1(=O)CCCC1
InChi:	InChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
Synonyms:	thiolane 1,1-dioxide
Definition date:	2020-08-19
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	thiolane 1,1-dioxide

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

QZT

QZT
Name:	thiolane 1-oxide
Formula:	C4 H8 O S
SMILES:	O=[S]1CCCC1
InChi:	InChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
Definition date:	2020-08-24
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	thiolane 1-oxide

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

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

SGH

SGH
Name:	1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole
Formula:	C17 H13 F3 N2
SMILES:	Cc1ccc(cc1C(F)(F)F)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H13F3N2/c1-12-7-8-14(11-15(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-3-(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

HJF

HJF
Name:	5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine
Formula:	C19 H22 N4 O3
SMILES:	COc1cc(ccn1)c2cnn3cc(OC)c(nc23)[CH]4COC(C)(C)C4
InChi:	InChI=1S/C19H22N4O3/c1-19(2)8-13(11-26-19)17-15(24-3)10-23-18(22-17)14(9-21-23)12-5-6-20-16(7-12)25-4/h5-7,9-10,13H,8,11H2,1-4H3/t13-/m1/s1
Definition date:	2021-01-14
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	5-[(3~{S})-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine

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

TL8

TL8
Name:	2-methoxy-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C17 H14 N2 O2
SMILES:	COc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H14N2O2/c1-21-16-11-15(8-7-14(16)12-20)19-10-9-18-17(19)13-5-3-2-4-6-13/h2-12H,1H3
Definition date:	2021-01-08
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-methoxy-4-(2-phenylimidazol-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

TQK

TQK
Name:	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde
Formula:	C17 H14 N2 O
SMILES:	Cc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C17H14N2O/c1-13-11-16(8-7-15(13)12-20)19-10-9-18-17(19)14-5-3-2-4-6-14/h2-12H,1H3
Definition date:	2021-01-12
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-methyl-4-(2-phenylimidazol-1-yl)benzaldehyde

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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