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QQD

QQD
Name:	4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide
Formula:	C23 H23 N3 O2
SMILES:	c1ncccc1C4C(C)(c2ccccc2N4Cc3ccc(cc3)C(NO)=O)C
InChi:	InChI=1S/C23H23N3O2/c1-23(2)19-7-3-4-8-20(19)26(21(23)18-6-5-13-24-14-18)15-16-9-11-17(12-10-16)22(27)25-28/h3-14,21,28H,15H2,1-2H3,(H,25,27)/t21-/m1/s1
Definition date:	2019-12-09
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	4-{[(2S)-3,3-dimethyl-2-(pyridin-3-yl)-2,3-dihydro-1H-indol-1-yl]methyl}-N-hydroxybenzamide

QQG

QQG
Name:	N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide
Formula:	C21 H25 N3 O2
SMILES:	C4C1(c2c(N(C1)C)cccc2)CCN(Cc3ccc(cc3)C(NO)=O)C4
InChi:	InChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)
Definition date:	2019-12-09
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide

QTW

QTW
Name:	[(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[(~{E})-phenylcarbonyliminomethyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:	C25 H38 N6 O8 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CNC(=O)c3ccccc3)nn2)[CH](O)[CH]1O
InChi:	InChI=1S/C25H38N6O8S/c1-16(2)11-20(26)25(35)29-40(36,37)39-15-21-23(33)22(32)18(14-38-21)9-6-10-31-13-19(28-30-31)12-27-24(34)17-7-4-3-5-8-17/h3-5,7-8,13,16,18,20-23,32-33H,6,9-12,14-15,26H2,1-2H3,(H,27,34)(H,29,35)/t18-,20+,21-,22+,23-/m1/s1
Definition date:	2020-08-10
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(benzamidomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

QY1

QY1
Name:	(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid
Formula:	C23 H23 N O3
SMILES:	c1cccc2ccc(nc12)COc3ccc(cc3)C(C(=O)O)C4CCCC4
InChi:	InChI=1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1
Definition date:	2020-01-14
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(2R)-cyclopentyl{4-[(quinolin-2-yl)methoxy]phenyl}acetic acid

QY7

QY7
Name:	3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid
Formula:	C27 H34 Cl N O2 S
SMILES:	c1c2c(ccc1C(C)C)n(c(c2SC(C)(C)C)CC(C(O)=O)(C)C)Cc3ccc(cc3)Cl
InChi:	InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)
Definition date:	2020-01-14
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	3-[3-(tert-butylsulfanyl)-1-[(4-chlorophenyl)methyl]-5-(propan-2-yl)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

QYQ

QYQ
Name:	~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide
Formula:	C24 H27 Cl F3 N5 O4 S
SMILES:	CO[CH](C)c1n2nc(Cl)cc2ncc1Nc3ccc(cc3)[CH](N(C)C(=O)C4CC[S](=O)(=O)CC4)C(F)(F)F
InChi:	InChI=1S/C24H27ClF3N5O4S/c1-14(37-3)21-18(13-29-20-12-19(25)31-33(20)21)30-17-6-4-15(5-7-17)22(24(26,27)28)32(2)23(34)16-8-10-38(35,36)11-9-16/h4-7,12-14,16,22,30H,8-11H2,1-3H3/t14-,22-/m0/s1
Definition date:	2020-08-21
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	~{N}-[(1~{S})-1-[4-[[2-chloranyl-7-[(1~{S})-1-methoxyethyl]pyrazolo[1,5-a]pyrimidin-6-yl]amino]phenyl]-2,2,2-tris(fluoranyl)ethyl]-~{N}-methyl-1,1-bis(oxidanylidene)thiane-4-carboxamide

R6Q

R6Q
Name:	1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one
Formula:	C21 H21 F3 N2 O2
SMILES:	FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc4ccccc34)cc1
InChi:	InChI=1S/C21H21F3N2O2/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20/h1-8H,9-14H2,(H,25,27)
Definition date:	2020-09-10
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one

R9W

R9W
Name:	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine
Formula:	C12 H16 N2
SMILES:	Nc1c2CCCCc2nc3CCCc13
InChi:	InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)
Definition date:	2020-09-21
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine

RGW

RGW
Name:	~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
Formula:	C30 H36 Cl N5 O S
SMILES:	Cc1sc2n3c(C)nnc3[CH](CC(=O)NCC45CC6CC(CC(C6)C4)C5)N[CH](c7ccc(Cl)cc7)c2c1C
InChi:	InChI=1S/C30H36ClN5OS/c1-16-17(2)38-29-26(16)27(22-4-6-23(31)7-5-22)33-24(28-35-34-18(3)36(28)29)11-25(37)32-15-30-12-19-8-20(13-30)10-21(9-19)14-30/h4-7,19-21,24,27,33H,8-15H2,1-3H3,(H,32,37)/t19-,20+,21-,24-,27+,30-/m0/s1
Definition date:	2020-09-29
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide

RMZ

RMZ
Name:	(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
Formula:	C22 H27 N3 O
SMILES:	Cc1ccc(cc1C)N2CCN(CC[CH]3NC(=O)c4ccccc34)CC2
InChi:	InChI=1S/C22H27N3O/c1-16-7-8-18(15-17(16)2)25-13-11-24(12-14-25)10-9-21-19-5-3-4-6-20(19)22(26)23-21/h3-8,15,21H,9-14H2,1-2H3,(H,23,26)/t21-/m0/s1
Synonyms:	3-(2-(4-(3,4-Dimethylphenyl)piperazin-1-yl)ethyl)isoindolin-1-one
Definition date:	2020-10-09
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one

RNW

RNW
Name:	2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide
Formula:	C15 H15 N O3 S
SMILES:	ONC(=O)C[S](=O)C(c1ccccc1)c2ccccc2
InChi:	InChI=1S/C15H15NO3S/c17-14(16-18)11-20(19)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15,18H,11H2,(H,16,17)/t20-/m1/s1
Definition date:	2020-10-13
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-(diphenylmethyl)sulfinyl-~{N}-oxidanyl-ethanamide

RQH

RQH
Name:	(1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one
Formula:	C15 H17 Cl N2 O2
SMILES:	CC(C)(C)C(=O)[CH](Oc1ccc(Cl)cc1)n2ccnc2
InChi:	InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3/t14-/m0/s1
Synonyms:	Climbazole
Definition date:	2020-10-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one

RQN

RQN
Name:	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide
Formula:	C15 H13 F2 N O3
SMILES:	CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F
InChi:	InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)
Definition date:	2020-10-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide

RT2

RT2
Name:	Tofogliflozin
Formula:	C22 H26 O6
SMILES:	CCc1ccc(Cc2ccc3CO[C]4(O[CH](CO)[CH](O)[CH](O)[CH]4O)c3c2)cc1
InChi:	InChI=1S/C22H26O6/c1-2-13-3-5-14(6-4-13)9-15-7-8-16-12-27-22(17(16)10-15)21(26)20(25)19(24)18(11-23)28-22/h3-8,10,18-21,23-26H,2,9,11-12H2,1H3/t18-,19-,20+,21+,22+/m1/s1
Definition date:	2020-10-20
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(3~{S},3'~{S},4'~{S},5'~{S},6'~{R})-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1~{H}-2-benzofuran-3,2'-oxane]-3',4',5'-triol

E9X

E9X
Name:	1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C21 H27 Cl N6 O
SMILES:	CC1(C)N=C(N)N=C(N)N1OCCCN(Cc2ccccc2)c3ccc(Cl)cc3
InChi:	InChI=1S/C21H27ClN6O/c1-21(2)26-19(23)25-20(24)28(21)29-14-6-13-27(15-16-7-4-3-5-8-16)18-11-9-17(22)10-12-18/h3-5,7-12H,6,13-15H2,1-2H3,(H4,23,24,25,26)
Definition date:	2019-11-28
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

EA0

EA0
Name:	2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide
Formula:	C13 H17 Cl N6 O2
SMILES:	CC1(C)N=C(N)N=C(N)N1OCC(=O)Nc2ccc(Cl)cc2
InChi:	InChI=1S/C13H17ClN6O2/c1-13(2)19-11(15)18-12(16)20(13)22-7-10(21)17-9-5-3-8(14)4-6-9/h3-6H,7H2,1-2H3,(H,17,21)(H4,15,16,18,19)
Definition date:	2019-11-28
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-~{N}-(4-chlorophenyl)ethanamide

EBR

EBR
Name:	[(4Z)-4-[[(Z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1H-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C16 H19 N2 O6 P
SMILES:	CC1=C(O)C(=CN=CCc2ccc(O)cc2)C(=CN1)CO[P](O)(O)=O
InChi:	InChI=1S/C16H19N2O6P/c1-11-16(20)15(13(8-18-11)10-24-25(21,22)23)9-17-7-6-12-2-4-14(19)5-3-12/h2-5,7-9,18-20H,6,10H2,1H3,(H2,21,22,23)/b15-9-,17-7-
Definition date:	2019-12-06
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	[(4~{Z})-4-[[(~{Z})-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1~{H}-pyridin-3-yl]methyl dihydrogen phosphate

F8U

F8U
Name:	(2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid
Formula:	C4 H10 O8 S2
SMILES:	O[CH](C[S](O)(=O)=O)[CH](O)C[S](O)(=O)=O
InChi:	InChI=1S/C4H10O8S2/c5-3(1-13(7,8)9)4(6)2-14(10,11)12/h3-6H,1-2H2,(H,7,8,9)(H,10,11,12)/t3-,4-/m0/s1
Definition date:	2020-04-15
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(2~{R},3~{R})-2,3-bis(oxidanyl)butane-1,4-disulfonic acid

FFU

FFU
Name:	N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide
Formula:	C17 H20 F2 N2 O
SMILES:	CC1(C)CCC(CC1)NC(=O)c2[nH]c3cc(F)cc(F)c3c2
InChi:	InChI=1S/C17H20F2N2O/c1-17(2)5-3-11(4-6-17)20-16(22)15-9-12-13(19)7-10(18)8-14(12)21-15/h7-9,11,21H,3-6H2,1-2H3,(H,20,22)
Definition date:	2020-05-11
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	~{N}-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1~{H}-indole-2-carboxamide

FG0

FG0
Name:	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
Formula:	C20 H23 N O3 S
SMILES:	C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1
InChi:	InChI=1S/C20H23NO3S/c1-2-17-18(23-11-10-22-17)13-15(1)14-21-7-5-20(6-8-21)16-4-12-25-19(16)3-9-24-20/h1-2,4,12-13H,3,5-11,14H2
Definition date:	2020-05-11
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

FXU

FXU
Name:	(2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide
Formula:	C12 H15 F3 N2 O4 S
SMILES:	C[S](=O)(=O)CC[CH](N)C(=O)Nc1cccc(OC(F)(F)F)c1
InChi:	InChI=1S/C12H15F3N2O4S/c1-22(19,20)6-5-10(16)11(18)17-8-3-2-4-9(7-8)21-12(13,14)15/h2-4,7,10H,5-6,16H2,1H3,(H,17,18)/t10-/m1/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(2~{R})-2-azanyl-4-methylsulfonyl-~{N}-[3-(trifluoromethyloxy)phenyl]butanamide

FXX

FXX
Name:	(3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid
Formula:	C11 H11 F3 N2 O4
SMILES:	N[CH](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c1
InChi:	InChI=1S/C11H11F3N2O4/c12-11(13,14)20-7-3-1-2-6(4-7)16-10(19)8(15)5-9(17)18/h1-4,8H,5,15H2,(H,16,19)(H,17,18)/t8-/m1/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(3~{R})-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid

FY6

FY6
Name:	(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
Formula:	C14 H17 Cl N2 O
SMILES:	C[CH](O)c1nccn1CCCc2ccc(Cl)cc2
InChi:	InChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(1~{S})-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol

FY9

FY9
Name:	(2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one
Formula:	C26 H32 N2 O5 S
SMILES:	C[S](=O)(=O)C[CH](O)[CH](N)C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(CO)cc3
InChi:	InChI=1S/C26H32N2O5S/c1-34(32,33)18-24(30)25(27)26(31)28-14-12-22(13-15-28)16-21-8-4-19(5-9-21)2-3-20-6-10-23(17-29)11-7-20/h4-11,22,24-25,29-30H,12-18,27H2,1H3/t24-,25+/m0/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(2~{R},3~{R})-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one

FYF

FYF
Name:	(1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol
Formula:	C15 H15 N3 O2
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)c3ccccc3
InChi:	InChI=1S/C15H15N3O2/c1-11(19)15-16-7-8-18(15)10-13-9-14(20-17-13)12-5-3-2-4-6-12/h2-9,11,19H,10H2,1H3/t11-/m0/s1
Definition date:	2020-07-08
Last modified:	2020-11-27
Release date:	2020-12-02
Identifier:	(1~{S})-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol

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