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UY3

UY3
Name:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol
Formula:	C15 H12 F4 O3 S2
SMILES:	C[S](=O)(=O)c1sc(c2CCC(F)(F)[CH](O)c12)c3cc(F)cc(F)c3
InChi:	InChI=1S/C15H12F4O3S2/c1-24(21,22)14-11-10(2-3-15(18,19)13(11)20)12(23-14)7-4-8(16)6-9(17)5-7/h4-6,13,20H,2-3H2,1H3/t13-/m0/s1
Definition date:	2023-02-15
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(4~{S})-1-[3,5-bis(fluoranyl)phenyl]-5,5-bis(fluoranyl)-3-methylsulfonyl-6,7-dihydro-4~{H}-2-benzothiophen-4-ol

UYF

UYF
Name:	(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol
Formula:	C14 H18 F2 O4 S2
SMILES:	C[S](=O)(=O)c1sc(OC2CCCCC2)c3CC(F)(F)[CH](O)c13
InChi:	InChI=1S/C14H18F2O4S2/c1-22(18,19)13-10-9(7-14(15,16)11(10)17)12(21-13)20-8-5-3-2-4-6-8/h8,11,17H,2-7H2,1H3/t11-/m0/s1
Definition date:	2023-02-15
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(4~{S})-1-cyclohexyloxy-5,5-bis(fluoranyl)-3-methylsulfonyl-4,6-dihydrocyclopenta[c]thiophen-4-ol

ZTV

ZTV
Name:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine
Formula:	C21 H26 N6 O2
SMILES:	CC1COCCN1c1cc(nc2nc([NH]c21)c1ccccn1)N1CCOCC1C
InChi:	InChI=1S/C21H26N6O2/c1-14-12-28-9-7-26(14)17-11-18(27-8-10-29-13-15(27)2)23-21-19(17)24-20(25-21)16-5-3-4-6-22-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1
Definition date:	2023-04-03
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine

ZUO

ZUO
Name:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine
Formula:	C19 H25 N7 O2
SMILES:	CC1COCCN1c1cc(nc2[NH]c(nc21)c1cc[NH]n1)N1CCOCC1C
InChi:	InChI=1S/C19H25N7O2/c1-12-10-27-7-5-25(12)15-9-16(26-6-8-28-11-13(26)2)21-19-17(15)22-18(23-19)14-3-4-20-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-,13+/m1/s1
Definition date:	2023-04-04
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine

YC9

YC9
Name:	[(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid
Formula:	C11 H17 N4 O5 P
SMILES:	O=P(O)(O)CCC(CO)NCc1c[NH]c2c1N=CNC2=O
InChi:	InChI=1S/C11H17N4O5P/c16-5-8(1-2-21(18,19)20)12-3-7-4-13-10-9(7)14-6-15-11(10)17/h4,6,8,12-13,16H,1-3,5H2,(H,14,15,17)(H2,18,19,20)/t8-/m1/s1
Definition date:	2023-01-24
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	[(3R)-4-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}butyl]phosphonic acid

YCE

YCE
Name:	[(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid
Formula:	C10 H15 N4 O5 P
SMILES:	O=P(O)(O)CC(O)CNCc1c[NH]c2c1N=CNC2=O
InChi:	InChI=1S/C10H15N4O5P/c15-7(4-20(17,18)19)3-11-1-6-2-12-9-8(6)13-5-14-10(9)16/h2,5,7,11-12,15H,1,3-4H2,(H,13,14,16)(H2,17,18,19)/t7-/m1/s1
Definition date:	2023-01-24
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	[(2R)-2-hydroxy-3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl]phosphonic acid

YWR

YWR
Name:	K2[Ru2(DAniF)(CO3)3]
Formula:	C18 H16 N2 O11 Ru2
SMILES:	COc1ccc(cc1)N2CN(c3ccc(OC)cc3)[Ru]45OC(=O)O[Ru]2(OC(=O)O4)OC(=O)O5
InChi:	InChI=1S/C15H16N2O2.3CH2O3.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13
Definition date:	2023-06-22
Last modified:	2023-07-14
Release date:	2023-07-19

K9E

K9E
Name:	[4-[[[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]amino]methyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
Formula:	C12 H19 N2 O8 P
SMILES:	Cc1ncc(CO[P](O)(O)=O)c(C=NC(CO)(CO)CO)c1O
InChi:	InChI=1S/C12H19N2O8P/c1-8-11(18)10(3-14-12(5-15,6-16)7-17)9(2-13-8)4-22-23(19,20)21/h2-3,15-18H,4-7H2,1H3,(H2,19,20,21)/b14-3+
Definition date:	2022-09-13
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	[4-[(~{E})-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]iminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate

OSR

OSR
Name:	(6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
Formula:	C31 H35 Br N4 O4
SMILES:	CC[CH](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5
InChi:	InChI=1S/C31H35BrN4O4/c1-4-20(2)29-30(38)34(18-22-11-14-26(40-3)25-8-6-5-7-24(22)25)19-27-35(16-15-28(37)36(27)29)31(39)33-17-21-9-12-23(32)13-10-21/h5-14,20,27,29H,4,15-19H2,1-3H3,(H,33,39)/t20-,27+,29-/m0/s1
Definition date:	2023-02-10
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(6~{S},9~{a}~{S})-~{N}-[(4-bromophenyl)methyl]-6-[(2~{S})-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9~{a}-tetrahydro-2~{H}-pyrazino[1,2-a]pyrimidine-1-carboxamide

IJC

IJC
Name:	2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid
Formula:	C13 H11 Cl N4 O6 S
SMILES:	COc1cc(Cl)nc(NC(=O)N[S](=O)(=O)c2ccccc2C(O)=O)n1
InChi:	InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)
Definition date:	2022-07-05
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	2-[(4-chloranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid

RTO

RTO
Name:	4-(dipropylsulfamoyl)benzoic acid
Formula:	C13 H19 N O4 S
SMILES:	CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
Definition date:	2022-12-06
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	4-(dipropylsulfamoyl)benzoic acid

W5R

W5R
Name:	dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
Formula:	C25 H34 F3 N3 O4
SMILES:	COC(=O)C1=C(CCN(C)C)N(C)C(=C(C1c2ccc(cc2)C(F)(F)F)C(=O)OC)CCN(C)C
InChi:	InChI=1S/C25H34F3N3O4/c1-29(2)14-12-18-21(23(32)34-6)20(16-8-10-17(11-9-16)25(26,27)28)22(24(33)35-7)19(31(18)5)13-15-30(3)4/h8-11,20H,12-15H2,1-7H3
Definition date:	2023-05-03
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate

Z2Z

Z2Z
Name:	8-(methanesulfonyl)quinoline
Formula:	C10 H9 N O2 S
SMILES:	CS(=O)(=O)c1cccc2cccnc12
InChi:	InChI=1S/C10H9NO2S/c1-14(12,13)9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	8-(methanesulfonyl)quinoline

Z3H

Z3H
Name:	N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide
Formula:	C10 H13 N O3 S
SMILES:	CS(=O)(=O)NC1CCOc2ccccc21
InChi:	InChI=1S/C10H13NO3S/c1-15(12,13)11-9-6-7-14-10-5-3-2-4-8(9)10/h2-5,9,11H,6-7H2,1H3/t9-/m1/s1
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]methanesulfonamide

UU0

UU0
Name:	9,11-epoxy-17-hydroxypregn-4-ene-3,20-dione actate
Formula:	C24 H32 O6
SMILES:	C[CH]1C[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[C]35O[CH]5C[C]2(C)[C]1(O)C(=O)COC(C)=O
InChi:	InChI=1S/C24H32O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-21(15,3)24(17)20(30-24)11-22(18,4)23(13,28)19(27)12-29-14(2)25/h10,13,17-18,20,28H,5-9,11-12H2,1-4H3/t13-,17+,18-,20+,21+,22+,23+,24-/m1/s1
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12

Z3O

Z3O
Name:	(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole
Formula:	C15 H18 N2
SMILES:	CC1C=CN(CC2C=Nc3ccccc23)CC1
InChi:	InChI=1S/C15H18N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-6,8,10,12-13H,7,9,11H2,1H3/t12-,13+/m0/s1
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole

Z4X

Z4X
Name:	2-ethoxy-3-fluoro-N,N-dimethylbenzamide
Formula:	C11 H14 F N O2
SMILES:	CCOc1c(cccc1F)C(=O)N(C)C
InChi:	InChI=1S/C11H14FNO2/c1-4-15-10-8(11(14)13(2)3)6-5-7-9(10)12/h5-7H,4H2,1-3H3
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-ethoxy-3-fluoro-N,N-dimethylbenzamide

Z5Z

Z5Z
Name:	(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
Formula:	C9 H15 N3 O S
SMILES:	Cc1nc(sn1)N1CC(C)OC(C)C1
InChi:	InChI=1S/C9H15N3OS/c1-6-4-12(5-7(2)13-6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7+
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

Z7T

Z7T
Name:	2-(cyclopentylamino)pyridine-4-carboxamide
Formula:	C11 H15 N3 O
SMILES:	NC(=O)c1ccnc(NC2CCCC2)c1
InChi:	InChI=1S/C11H15N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4H2,(H2,12,15)(H,13,14)
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2-(cyclopentylamino)pyridine-4-carboxamide

ZRR

ZRR
Name:	(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
Formula:	C22 H28 N10 O
SMILES:	CC(C)n1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c32)c1
InChi:	InChI=1S/C22H28N10O/c1-14(2)32-28-21(27-29-32)16-9-18(11-19(33)10-16)26-22-20-15(3-8-31(20)25-13-24-22)12-30-6-4-17(23)5-7-30/h3,8-11,13-14,17,33H,4-7,12,23H2,1-2H3,(H,24,25,26)
Definition date:	2023-03-27
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol

S2F

S2F
Name:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid
Formula:	C22 H28 F2 O5
SMILES:	O[CH]1C[CH](O)[CH](C=CC(F)(F)COc2ccccc2)[CH]1CC=CCCCC(O)=O
InChi:	InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1
Synonyms:	Tafluprost acid
Definition date:	2023-04-08
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid

ZA9

ZA9
Name:	4-[(3S)-piperidin-3-yl]-1H-indole
Formula:	C13 H16 N2
SMILES:	c1c[NH]c2cccc(c12)C1CCCNC1
InChi:	InChI=1S/C13H16N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-6,8,10,14-15H,2-3,7,9H2/t10-/m1/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	4-[(3S)-piperidin-3-yl]-1H-indole

XPW

XPW
Name:	1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile
Formula:	C25 H28 N6 O3
SMILES:	CC(C)(O)c1ncc(nc1)N1CC2(CCCC(C)(Cn3cnc4ccc(C#N)cc43)C2)OC1=O
InChi:	InChI=1S/C25H28N6O3/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3/t24-,25-/m0/s1
Synonyms:	GSK2798745
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	1-({(5S,7S)-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl}methyl)-1H-benzimidazole-6-carbonitrile

XQ3

XQ3
Name:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
Formula:	C28 H32 Cl2 N4 O6 S2
SMILES:	Clc1ccc(c(Cl)c1)S(=O)(=O)NC(CO)C(=O)N1CCN(CC1)C(=O)C(CC(C)C)NC(=O)c1cc2ccccc2s1
InChi:	InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1
Synonyms:	GSK1016790A
Definition date:	2022-12-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide

ZBH

ZBH
Name:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
Formula:	C10 H14 N2 O S
SMILES:	CNC(=O)C1CCCc2sc(C)nc21
InChi:	InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)/t7-/m0/s1
Definition date:	2023-06-23
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide

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