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TJY

TJY
Name:	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid
Formula:	C9 H6 N2 O3
SMILES:	O=C2N=C(C(=O)O)c1c(cccc1)N2
InChi:	InChI=1S/C9H6N2O3/c12-8(13)7-5-3-1-2-4-6(5)10-9(14)11-7/h1-4H,(H,12,13)(H,10,11,14)
Definition date:	2020-03-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-oxo-1,2-dihydroquinazoline-4-carboxylic acid

OQ5

OQ5
Name:	20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid
Formula:	C41 H76 N4 O12
SMILES:	CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O
InChi:	InChI=1S/C41H76N4O12/c1-3-45(4-2)39(49)34-57-32-30-55-28-26-43-38(48)33-56-31-29-54-27-25-42-36(46)24-23-35(41(52)53)44-37(47)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-40(50)51/h35H,3-34H2,1-2H3,(H,42,46)(H,43,48)(H,44,47)(H,50,51)(H,52,53)/t35-/m0/s1
Definition date:	2020-03-27
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid

VR7

VR7
Name:	2-hydroxy-5-(thiophen-3-yl)benzoic acid
Formula:	C11 H8 O3 S
SMILES:	c1c(ccc(c1C(O)=O)O)c2ccsc2
InChi:	InChI=1S/C11H8O3S/c12-10-2-1-7(5-9(10)11(13)14)8-3-4-15-6-8/h1-6,12H,(H,13,14)
Definition date:	2020-09-09
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-hydroxy-5-(thiophen-3-yl)benzoic acid

QFT

QFT
Name:	2-fluoranyl-5-nitro-phenol
Formula:	C6 H4 F N O3
SMILES:	Oc1cc(ccc1F)[N](=O)=O
InChi:	InChI=1S/C6H4FNO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
Definition date:	2020-06-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-fluoranyl-5-nitro-phenol

UTJ

UTJ
Name:	[4-(isoquinolin-8-yl)phenyl]acetonitrile
Formula:	C17 H12 N2
SMILES:	n2cc3c(c1ccc(cc1)CC#N)cccc3cc2
InChi:	InChI=1S/C17H12N2/c18-10-8-13-4-6-15(7-5-13)16-3-1-2-14-9-11-19-12-17(14)16/h1-7,9,11-12H,8H2
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[4-(isoquinolin-8-yl)phenyl]acetonitrile

UTM

UTM
Name:	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline
Formula:	C36 H35 N5 O
SMILES:	N7(Cc1ccc(c(c1)OCCc2ccc(cc2)c3c4c(ccc3)ccnc4)c5cnc6c5cncc6)CCN(C)CC7
InChi:	InChI=1S/C36H35N5O/c1-40-16-18-41(19-17-40)25-27-7-10-31(33-24-39-35-12-15-38-23-34(33)35)36(21-27)42-20-13-26-5-8-29(9-6-26)30-4-2-3-28-11-14-37-22-32(28)30/h2-12,14-15,21-24,39H,13,16-20,25H2,1H3
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline

QFZ

QFZ
Name:	2,3,4,5,6-pentakis(fluoranyl)phenol
Formula:	C6 H F5 O
SMILES:	Oc1c(F)c(F)c(F)c(F)c1F
InChi:	InChI=1S/C6HF5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
Definition date:	2020-06-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2,3,4,5,6-pentakis(fluoranyl)phenol

UTS

UTS
Name:	1-benzyl-1H-benzimidazole
Formula:	C14 H12 N2
SMILES:	c1ccc(cc1)Cn3cnc2ccccc23
InChi:	InChI=1S/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-benzyl-1H-benzimidazole

UTV

UTV
Name:	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one
Formula:	C18 H17 F2 N O2
SMILES:	c3(CN2C(C(c1ccccc12)=O)(C)C)ccccc3OC(F)F
InChi:	InChI=1S/C18H17F2NO2/c1-18(2)16(22)13-8-4-5-9-14(13)21(18)11-12-7-3-6-10-15(12)23-17(19)20/h3-10,17H,11H2,1-2H3
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one

UTY

UTY
Name:	3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile
Formula:	C28 H29 N7 O3
SMILES:	N5(CCN(c1ncc(cn1)c3ccc2C(=O)C(C)(N(c2c3)Cc4cccnc4C#N)C)CC5C)C(CO)=O
InChi:	InChI=1S/C28H29N7O3/c1-18-15-33(9-10-34(18)25(37)17-36)27-31-13-21(14-32-27)19-6-7-22-24(11-19)35(28(2,3)26(22)38)16-20-5-4-8-30-23(20)12-29/h4-8,11,13-14,18,36H,9-10,15-17H2,1-3H3/t18-/m1/s1
Definition date:	2020-06-02
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile

VUA

VUA
Name:	4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
Formula:	C18 H24 N4
SMILES:	n2ccc(N1CCC(CC1)C)nc2NCCc3ccccc3
InChi:	InChI=1S/C18H24N4/c1-15-9-13-22(14-10-15)17-8-12-20-18(21-17)19-11-7-16-5-3-2-4-6-16/h2-6,8,12,15H,7,9-11,13-14H2,1H3,(H,19,20,21)
Definition date:	2020-09-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine

VUD

VUD
Name:	6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one
Formula:	C19 H16 F N5 O2
SMILES:	C3(=C(C(Oc2c(nc1c(cc(cc1)F)c2)N)C)NC(=O)C=C3)n4nccc4
InChi:	InChI=1S/C19H16FN5O2/c1-11(18-15(5-6-17(26)24-18)25-8-2-7-22-25)27-16-10-12-9-13(20)3-4-14(12)23-19(16)21/h2-11H,1H3,(H2,21,23)(H,24,26)/t11-/m0/s1
Definition date:	2020-09-15
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)pyridin-2(1H)-one

QKT

QKT
Name:	Diperodon (S-enantiomer)
Formula:	C22 H27 N3 O4
SMILES:	O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3
InChi:	InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m0/s1
Definition date:	2020-06-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[(2~{S})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate

SMU

SMU
Name:	[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese
Formula:	C32 H20 Mn N4
SMILES:	c45ccc6C(c1ccccc1)=C7C=CC=8C=C2N9C(C=C2)=C(C3=[N+](C(C=C3)=C4)[Mn]9(n56)[N+]7=8)c%10ccccc%10
InChi:	InChI=1S/C32H20N4.Mn/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24
Definition date:	2020-08-13
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[5,15-diphenylporphyrinato(2-)-kappa~4~N~21~,N~22~,N~23~,N~24~]manganese(2+)

D84

D84
Name:	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one
Formula:	C31 H26 F2 N4 O4
SMILES:	c1(cc(ccc1)N2CCCC2=O)OCc5n(c4cc(C3=CNC(=O)C=C3)ccc4n5)Cc6c(cccc6)OC(F)F
InChi:	InChI=1S/C31H26F2N4O4/c32-31(33)41-27-8-2-1-5-22(27)18-37-26-15-20(21-11-13-29(38)34-17-21)10-12-25(26)35-28(37)19-40-24-7-3-6-23(16-24)36-14-4-9-30(36)39/h1-3,5-8,10-13,15-17,31H,4,9,14,18-19H2,(H,34,38)
Definition date:	2017-10-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one

D7I

D7I
Name:	5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate
Formula:	C14 H20 O26 P6
SMILES:	O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1OCCOc2cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc2O[P](O)(O)=O
InChi:	InChI=1S/C14H20O26P6/c15-41(16,17)35-9-5-13(39-45(27,28)29)11(37-43(21,22)23)3-7(9)33-1-2-34-8-4-12(38-44(24,25)26)14(40-46(30,31)32)6-10(8)36-42(18,19)20/h3-6H,1-2H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)
Definition date:	2019-09-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[2,4-diphosphonooxy-5-[2-(2,4,5-triphosphonooxyphenoxy)ethoxy]phenyl] dihydrogen phosphate

GZ9

GZ9
Name:	(2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Formula:	C30 H41 N3 O5
SMILES:	Cc1nc(NC(=O)NC2CCCCC2)c(C)c([CH](OC(C)(C)C)C(O)=O)c1c3ccc4OCCCc4c3C
InChi:	InChI=1S/C30H41N3O5/c1-17-21-13-10-16-37-23(21)15-14-22(17)25-19(3)31-27(33-29(36)32-20-11-8-7-9-12-20)18(2)24(25)26(28(34)35)38-30(4,5)6/h14-15,20,26H,7-13,16H2,1-6H3,(H,34,35)(H2,31,32,33,36)/t26-/m0/s1
Definition date:	2020-10-09
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(2~{S})-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid

H2L

H2L
Name:	1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea
Formula:	C20 H19 N5 O3 S2
SMILES:	O=C(Nc1sccn1)Nc2cccc(c2)[S](=O)(=O)NCCc3c[nH]c4ccccc34
InChi:	InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26)
Definition date:	2020-10-26
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	1-[3-[2-(1~{H}-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea

H2R

H2R
Name:	N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide
Formula:	C24 H23 F3 N4 O2
SMILES:	FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc4cccnc4)c2)nc1
InChi:	InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)
Definition date:	2020-10-27
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide

H4L

H4L
Name:	3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol
Formula:	C20 H21 N3 O3
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)C#Cc3ccc(CCCO)cc3
InChi:	InChI=1S/C20H21N3O3/c1-15(25)20-21-10-11-23(20)14-18-13-19(26-22-18)9-8-17-6-4-16(5-7-17)3-2-12-24/h4-7,10-11,13,15,24-25H,2-3,12,14H2,1H3/t15-/m0/s1
Definition date:	2020-11-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	3-[4-[2-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenyl]propan-1-ol

H4O

H4O
Name:	5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol
Formula:	C20 H21 N3 O3
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CCCCO
InChi:	InChI=1S/C20H21N3O3/c1-15(25)20-21-10-11-23(20)14-18-13-19(26-22-18)17-8-6-16(7-9-17)5-3-2-4-12-24/h6-11,13,15,24-25H,2,4,12,14H2,1H3/t15-/m0/s1
Definition date:	2020-11-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]pent-4-yn-1-ol

H4R

H4R
Name:	4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid
Formula:	C26 H28 N4 O4
SMILES:	C[CH](O)c1nccn1Cc2cc(on2)c3ccc(cc3)C#CC4[CH]5CN(CCCC(O)=O)C[CH]45
InChi:	InChI=1S/C26H28N4O4/c1-17(31)26-27-10-12-30(26)14-20-13-24(34-28-20)19-7-4-18(5-8-19)6-9-21-22-15-29(16-23(21)22)11-2-3-25(32)33/h4-5,7-8,10,12-13,17,21-23,31H,2-3,11,14-16H2,1H3,(H,32,33)/t17-,21-,22-,23+/m0/s1
Definition date:	2020-11-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	4-[(1~{R},5~{S})-6-[2-[4-[3-[[2-[(1~{S})-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]phenyl]ethynyl]-3-azabicyclo[3.1.0]hexan-3-yl]butanoic acid

KQB

KQB
Name:	trifluoromagnesate monohydrate
Formula:	F3 Mg O
SMILES:	O.F[Mg](F)F
InChi:	InChI=1S/3FH.Mg.H2O/h3*1H
Definition date:	2019-06-17
Last modified:	2021-01-08
Release date:	2020-07-15
Identifier:	tris(fluoranyl)-$l^{1}-oxidanyl-magnesium

KTQ

KTQ
Name:	~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
Formula:	C22 H20 N4 O3
SMILES:	COc1ccc(CCNc2n3ccccc3nc2c4ccc(cc4)[N+]([O-])=O)cc1
InChi:	InChI=1S/C22H20N4O3/c1-29-19-11-5-16(6-12-19)13-14-23-22-21(24-20-4-2-3-15-25(20)22)17-7-9-18(10-8-17)26(27)28/h2-12,15,23H,13-14H2,1H3
Definition date:	2019-06-21
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine

F0L

F0L
Name:	nickel-sirohydrochlorin
Formula:	C42 H44 N4 Ni O16
SMILES:	C[C]1(CC(O)=O)[CH](CCC(O)=O)C2=NC1=Cc3n4[Ni++][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C6CC(O)=O)CCC(O)=O)[CH](CCC(O)=O)[C](C)(CC(O)=O)C5=C2
InChi:	InChI=1S/C42H46N4O16.Ni/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29
Definition date:	2020-03-05
Last modified:	2021-01-08
Release date:	2021-01-13

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