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V6T

V6T
Name:	DMHBI+
Formula:	C22 H26 N3 O4
SMILES:	COc1cc(cc(OC)c1O)C=C2N=C(C)N(C2=O)c3ccc(cc3)[N+](C)(C)C
InChi:	InChI=1S/C22H25N3O4/c1-14-23-18(11-15-12-19(28-5)21(26)20(13-15)29-6)22(27)24(14)16-7-9-17(10-8-16)25(2,3)4/h7-13H,1-6H3/p+1
Synonyms:	5-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-2-methyl-3-[4-(trimethyl-$l^{4}-azanyl)phenyl]-2~{H}-imidazol-4-one
Definition date:	2021-04-20
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium

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

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

URK

URK
Name:	[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
Formula:	C20 H20 N2 O7
SMILES:	COc1cccc(CNC(=O)[CH](OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC
InChi:	InChI=1S/C20H20N2O7/c1-4-17(23)29-19(13-8-10-15(11-9-13)22(25)26)20(24)21-12-14-6-5-7-16(27-2)18(14)28-3/h4-11,19H,1,12H2,2-3H3,(H,21,24)/t19-/m0/s1
Synonyms:	[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
Definition date:	2021-03-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate

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

US8

US8
Name:	2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Formula:	C16 H16 N2 O2 S
SMILES:	CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
InChi:	InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)
Synonyms:	2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Definition date:	2021-03-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide

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

USH

USH
Name:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
Formula:	C14 H19 Cl N2 O3
SMILES:	CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
InChi:	InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
Definition date:	2021-03-12
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide

UFH

UFH
Name:	2-bromanyl-4-imidazol-1-yl-benzaldehyde
Formula:	C10 H7 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2
InChi:	InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
Definition date:	2021-02-12
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-bromanyl-4-imidazol-1-yl-benzaldehyde

YXD

YXD
Name:	N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
Formula:	C23 H25 F3 N6 O2
SMILES:	Cn1cc(cn1)c1nc(ccc1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(C1)C(C)(C)O
InChi:	InChI=1S/C23H25F3N6O2/c1-22(2,34)15-7-8-32(13-15)16-9-19(20(27-11-16)23(24,25)26)30-21(33)18-6-4-5-17(29-18)14-10-28-31(3)12-14/h4-6,9-12,15,34H,7-8,13H2,1-3H3,(H,30,33)/t15-/m0/s1
Definition date:	2021-04-05
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide

UG5

UG5
Name:	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
Formula:	C11 H7 F3 N2 O
SMILES:	FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2
InChi:	InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H
Definition date:	2021-02-16
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde

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

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

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

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

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

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

YP1

YP1
Name:	2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile
Formula:	C24 H25 Cl N2 O2
SMILES:	N#Cc1c(cccc1Cl)OCC(O)CNC(C)(C)Cc1cc2ccccc2cc1
InChi:	InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
Definition date:	2021-03-18
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile

WU4

WU4
Name:	(6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one
Formula:	C28 H37 N3 O
SMILES:	N2C(=O)C51N(C(CCC1)C)CC24Cc6c3c(c(ccc3)CC=C(/C)C)nc6C(C)(C)C4C5
InChi:	InChI=1S/C28H37N3O/c1-17(2)11-12-19-9-6-10-20-21-14-27-16-31-18(3)8-7-13-28(31,25(32)30-27)15-22(27)26(4,5)24(21)29-23(19)20/h6,9-11,18,22,29H,7-8,12-16H2,1-5H3,(H,30,32)/t18-,22+,27+,28-/m0/s1
Definition date:	2020-11-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one

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

ZB4

ZB4
Name:	N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
Formula:	C23 H31 N3 O3 S
SMILES:	O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c1ccccc1
InChi:	InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m0/s1
Definition date:	2021-04-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide

U9E

U9E
Name:	3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic acid
Formula:	C21 H17 Cl N2 O2
SMILES:	CCc1c([nH]c(C(O)=O)c1c2ccccc2Cl)c3cccc4[nH]ccc34
InChi:	InChI=1S/C21H17ClN2O2/c1-2-12-18(15-6-3-4-8-16(15)22)20(21(25)26)24-19(12)14-7-5-9-17-13(14)10-11-23-17/h3-11,23-24H,2H2,1H3,(H,25,26)
Definition date:	2021-02-04
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	3-(2-chlorophenyl)-4-ethyl-5-(1~{H}-indol-4-yl)-1~{H}-pyrrole-2-carboxylic 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

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

J6C

J6C
Name:	Miltiradiene
Formula:	C20 H32
SMILES:	CC(C)C1=CCC2=C(CC[CH]3C(C)(C)CCC[C]23C)C1
InChi:	InChI=1S/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,14,18H,6,8-13H2,1-5H3/t18-,20+/m0/s1
Synonyms:	(4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8a,9,10-octahydrophenanthrene
Definition date:	2021-04-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(4~{b}~{S},8~{a}~{S})-4~{b},8,8-trimethyl-2-propan-2-yl-1,4,5,6,7,8~{a},9,10-octahydrophenanthrene

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