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B6C

B6C
Name:	2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide
Formula:	C18 H16 Cl2 N4 O2
SMILES:	c1(c(c(Cl)cc(c1)c2c(C)nnc2C)Nc3ccccc3C(NO)=O)Cl
InChi:	InChI=1S/C18H16Cl2N4O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25)
Definition date:	2019-01-17
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide

HS0

HS0
Name:	6-bromanyl-1~{H}-indazol-4-amine
Formula:	C7 H6 Br N3
SMILES:	Nc1cc(Br)cc2[nH]ncc12
InChi:	InChI=1S/C7H6BrN3/c8-4-1-6(9)5-3-10-11-7(5)2-4/h1-3H,9H2,(H,10,11)
Definition date:	2021-01-29
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	6-bromanyl-1~{H}-indazol-4-amine

9E0

9E0
Name:	(5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid
Formula:	C12 H11 N O2 S
SMILES:	C[CH]1[CH](Sc2cccc3[nH]cc1c23)C(O)=O
InChi:	InChI=1S/C12H11NO2S/c1-6-7-5-13-8-3-2-4-9(10(7)8)16-11(6)12(14)15/h2-6,11,13H,1H3,(H,14,15)/t6-,11+/m0/s1
Definition date:	2018-03-21
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	(5~{S},6~{R})-5-methyl-7-thia-2-azatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,8,10-tetraene-6-carboxylic acid

HU0

HU0
Name:	4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol
Formula:	C14 H12 Br N3 O
SMILES:	Oc1ccc(CNc2cc(Br)cc3[nH]ncc23)cc1
InChi:	InChI=1S/C14H12BrN3O/c15-10-5-13(12-8-17-18-14(12)6-10)16-7-9-1-3-11(19)4-2-9/h1-6,8,16,19H,7H2,(H,17,18)
Definition date:	2021-02-01
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	4-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]phenol

HU3

HU3
Name:	(1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
Formula:	C14 H18 Br N3 O
SMILES:	O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23
InChi:	InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m1/s1
Definition date:	2021-02-01
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	(1~{S},2~{R})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol

HU6

HU6
Name:	(1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
Formula:	C14 H18 Br N3 O
SMILES:	O[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23
InChi:	InChI=1S/C14H18BrN3O/c15-10-5-12(11-8-17-18-13(11)6-10)16-7-9-3-1-2-4-14(9)19/h5-6,8-9,14,16,19H,1-4,7H2,(H,17,18)/t9-,14+/m0/s1
Definition date:	2021-02-01
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	(1~{R},2~{S})-2-[[(6-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol

HU9

HU9
Name:	(1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol
Formula:	C14 H18 Br N3 O
SMILES:	O[CH]1CCCC[CH]1CNc2c(Br)ccc3[nH]ncc23
InChi:	InChI=1S/C14H18BrN3O/c15-11-5-6-12-10(8-17-18-12)14(11)16-7-9-3-1-2-4-13(9)19/h5-6,8-9,13,16,19H,1-4,7H2,(H,17,18)/t9-,13+/m0/s1
Definition date:	2021-02-01
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	(1~{R},2~{S})-2-[[(5-bromanyl-1~{H}-indazol-4-yl)amino]methyl]cyclohexan-1-ol

HUC

HUC
Name:	6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine
Formula:	C14 H17 Br Cl N3
SMILES:	Cl[CH]1CCCC[CH]1CNc2cc(Br)cc3[nH]ncc23
InChi:	InChI=1S/C14H17BrClN3/c15-10-5-13(11-8-18-19-14(11)6-10)17-7-9-3-1-2-4-12(9)16/h5-6,8-9,12,17H,1-4,7H2,(H,18,19)/t9-,12-/m0/s1
Definition date:	2021-02-01
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	6-bromanyl-~{N}-[[(1~{S},2~{S})-2-chloranylcyclohexyl]methyl]-1~{H}-indazol-4-amine

FN7

FN7
Name:	2,4,6-trimethylpyridine-3-carboxylic acid
Formula:	C9 H11 N O2
SMILES:	OC(=O)c1c(C)cc(C)nc1C
InChi:	InChI=1S/C9H11NO2/c1-5-4-6(2)10-7(3)8(5)9(11)12/h4H,1-3H3,(H,11,12)
Definition date:	2021-04-01
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	2,4,6-trimethylpyridine-3-carboxylic acid

4OF

4OF
Name:	N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Formula:	C27 H31 Cl F4 N6 O2 S
SMILES:	CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(cn2)C(F)(F)F)cc1F
InChi:	InChI=1S/C27H31ClF4N6O2S/c1-26(2,3)41(39,40)37-23-14-18(6-8-21(23)28)34-24-20(27(30,31)32)15-33-25(36-24)35-17-5-7-19(22(29)13-17)16-9-11-38(4)12-10-16/h5-8,13-16,37H,9-12H2,1-4H3,(H2,33,34,35,36)
Definition date:	2021-07-13
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide

4OW

4OW
Name:	N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide
Formula:	C27 H34 Cl F N6 O2 S
SMILES:	CN1CCC(CC1)c1ccc(Nc2nc(Nc3ccc(Cl)c(NS(=O)(=O)C(C)(C)C)c3)c(C)cn2)cc1F
InChi:	InChI=1S/C27H34ClFN6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33)
Definition date:	2021-07-13
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	N-[2-chloro-5-({2-[3-fluoro-4-(1-methylpiperidin-4-yl)anilino]-5-methylpyrimidin-4-yl}amino)phenyl]-2-methylpropane-2-sulfonamide

06I

06I
Name:	5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione
Formula:	C25 H18 Cl N5 O4 S
SMILES:	O=C1NC=C(C(=O)N1)C=1C=C(C(=O)N(C=1)c1cccnc1)c1cc(cc(Cl)c1)OCc1ncsc1C
InChi:	InChI=1S/C25H18ClN5O4S/c1-14-22(29-13-36-14)12-35-19-6-15(5-17(26)8-19)20-7-16(21-10-28-25(34)30-23(21)32)11-31(24(20)33)18-3-2-4-27-9-18/h2-11,13H,12H2,1H3,(H2,28,30,32,34)
Definition date:	2021-06-03
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione

06N

06N
Name:	4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol
Formula:	C13 H14 N4 O S
SMILES:	CCCNc1sc2ncc(n2n1)c3ccc(O)cc3
InChi:	InChI=1S/C13H14N4OS/c1-2-7-14-12-16-17-11(8-15-13(17)19-12)9-3-5-10(18)6-4-9/h3-6,8,18H,2,7H2,1H3,(H,14,16)
Definition date:	2021-05-31
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	4-[2-(propylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]phenol

0EI

0EI
Name:	4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide
Formula:	C36 H37 F N8 O S
SMILES:	CSc1nc(c2ccc(F)cc2)c(n1C)c3ccnc(Nc4ccc5N=Nc6ccc(NC(=O)CCCN(C)C)cc6CCc5c4)c3
InChi:	InChI=1S/C36H37FN8OS/c1-44(2)19-5-6-33(46)40-29-14-16-31-25(21-29)8-7-24-20-28(13-15-30(24)42-43-31)39-32-22-26(17-18-38-32)35-34(41-36(47-4)45(35)3)23-9-11-27(37)12-10-23/h9-18,20-22H,5-8,19H2,1-4H3,(H,38,39)(H,40,46)/b43-42-
Definition date:	2021-06-05
Last modified:	2021-07-16
Release date:	2021-07-21
Identifier:	4-(dimethylamino)-~{N}-[(5~{Z})-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide

L9K

L9K
Name:	(~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine
Formula:	C21 H17 N5 O3 S
SMILES:	C[S](=O)(=O)c1ccc(cc1)C2=CNC(=NCc3cccc4occc34)n5cnnc25
InChi:	InChI=1S/C21H17N5O3S/c1-30(27,28)16-7-5-14(6-8-16)18-12-23-21(26-13-24-25-20(18)26)22-11-15-3-2-4-19-17(15)9-10-29-19/h2-10,12-13H,11H2,1H3,(H,22,23)
Definition date:	2019-08-01
Last modified:	2021-07-12
Release date:	2019-09-25
Identifier:	(~{E})-~{N}-(1-benzofuran-4-ylmethyl)-8-(4-methylsulfonylphenyl)-6~{H}-[1,2,4]triazolo[4,3-c]pyrimidin-5-imine

V6M

V6M
Name:	7-methyl-3-phenyl-1H-indole-2-carboxylic acid
Formula:	C16 H13 N O2
SMILES:	c2(c(c1ccccc1)c3c(n2)c(ccc3)C)C(O)=O
InChi:	InChI=1S/C16H13NO2/c1-10-6-5-9-12-13(11-7-3-2-4-8-11)15(16(18)19)17-14(10)12/h2-9,17H,1H3,(H,18,19)
Definition date:	2020-07-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	7-methyl-3-phenyl-1H-indole-2-carboxylic acid

V6P

V6P
Name:	3-phenoxyphenol
Formula:	C12 H10 O2
SMILES:	c1c(cccc1O)Oc2ccccc2
InChi:	InChI=1S/C12H10O2/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,13H
Definition date:	2020-07-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	3-phenoxyphenol

V6S

V6S
Name:	4-(3-hydroxyphenoxy)benzoic acid
Formula:	C13 H10 O4
SMILES:	c1c(cc(cc1)Oc2ccc(cc2)C(O)=O)O
InChi:	InChI=1S/C13H10O4/c14-10-2-1-3-12(8-10)17-11-6-4-9(5-7-11)13(15)16/h1-8,14H,(H,15,16)
Definition date:	2020-07-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	4-(3-hydroxyphenoxy)benzoic acid

V6V

V6V
Name:	5-bromo-3-methyl-1H-indole-2-carboxylic acid
Formula:	C10 H8 Br N O2
SMILES:	Cc2c1c(ccc(c1)Br)nc2C(O)=O
InChi:	InChI=1S/C10H8BrNO2/c1-5-7-4-6(11)2-3-8(7)12-9(5)10(13)14/h2-4,12H,1H3,(H,13,14)
Definition date:	2020-07-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	5-bromo-3-methyl-1H-indole-2-carboxylic acid

V6Y

V6Y
Name:	3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid
Formula:	C29 H21 N O6
SMILES:	c2cc1nc(C(=O)O)c(c1cc2)c3cc(ccc3)OCc4cccc(c4)Oc5ccc(cc5)C(O)=O
InChi:	InChI=1S/C29H21NO6/c31-28(32)19-11-13-21(14-12-19)36-23-8-3-5-18(15-23)17-35-22-7-4-6-20(16-22)26-24-9-1-2-10-25(24)30-27(26)29(33)34/h1-16,30H,17H2,(H,31,32)(H,33,34)
Definition date:	2020-07-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	3-(3-{[3-(4-carboxyphenoxy)phenyl]methoxy}phenyl)-1H-indole-2-carboxylic acid

V74

V74
Name:	3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid
Formula:	C30 H23 N O6
SMILES:	c1cc(cc(c1)Oc2ccc(C(O)=O)cc2)COCc5cc(c4c3c(cccc3)nc4C(O)=O)ccc5
InChi:	InChI=1S/C30H23NO6/c32-29(33)21-11-13-23(14-12-21)37-24-8-4-6-20(16-24)18-36-17-19-5-3-7-22(15-19)27-25-9-1-2-10-26(25)31-28(27)30(34)35/h1-16,31H,17-18H2,(H,32,33)(H,34,35)
Definition date:	2020-07-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl)phenyl]-1H-indole-2-carboxylic acid

USN

USN
Name:	Dimethylated-F430 cofactor
Formula:	C44 H55 N6 Ni O13
SMILES:	C[CH]1C[C]2(C)[CH](CC(O)=O)[CH]3CC4=N[CH](C[C]56NC(=O)C[C]5(C)[CH](CCC(O)=O)C(=N6)C=C7[CH](CC(O)=O)[CH](CCC(O)=O)C(=C(C1=O)C2=N3)[N]7[Ni])[CH](CCC(O)=O)[C]4(C)CC(N)=O
InChi:	InChI=1S/C44H56N6O13.Ni/c1-19-15-42(3)24(12-36(61)62)26-14-29-41(2,17-30(45)51)22(6-9-33(55)56)28(46-29)16-44-43(4,18-31(52)50-44)23(7-10-34(57)58)27(49-44)13-25-21(11-35(59)60)20(5-8-32(53)54)38(47-25)37(39(19)63)40(42)48-26
Definition date:	2021-03-14
Last modified:	2021-07-09
Release date:	2021-07-14

UFW

UFW
Name:	((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold
Formula:	C32 H43 Au N5 O2 S
SMILES:	Cc1cc(C)c(N2C[CH](CNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34)N(C2=[Au])c5c(C)cc(C)cc5C)c(C)c1
InChi:	InChI=1S/C32H43N5O2S.Au/c1-19-11-21(3)30(22(4)12-19)36-16-25(37(18-36)31-23(5)13-20(2)14-24(31)6)15-33-28(38)10-8-7-9-27-29-26(17-40-27)34-32(39)35-29
Synonyms:	[(4~{S})-4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold
Definition date:	2021-02-14
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	[(4~{S})-4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold

YHP

YHP
Name:	N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide
Formula:	C29 H25 F4 N5 O2
SMILES:	FC(F)(F)c1cccc(c1)C(=O)NC1C(=O)N(CC)c2c(C1c1ccc(F)cc1)c(nn2c1ccccc1)CN
InChi:	InChI=1S/C29H25F4N5O2/c1-2-37-27-24(22(16-34)36-38(27)21-9-4-3-5-10-21)23(17-11-13-20(30)14-12-17)25(28(37)40)35-26(39)18-7-6-8-19(15-18)29(31,32)33/h3-15,23,25H,2,16,34H2,1H3,(H,35,39)/t23-,25-/m0/s1
Definition date:	2021-03-09
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide

UUT

UUT
Name:	(2S)-2-{[(2S)-2-{[(2S)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
Formula:	C9 H20 O4
SMILES:	C[CH](O)CO[CH](C)CO[CH](C)CO
InChi:	InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
Synonyms:	(2~{S})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol
Definition date:	2021-03-23
Last modified:	2021-07-09
Release date:	2021-07-14
Identifier:	(2~{S})-2-[(2~{S})-2-[(2~{S})-2-oxidanylpropoxy]propoxy]propan-1-ol

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