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DJC

DJC
Name:	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal
Formula:	C16 H12 F4 O
SMILES:	Fc1ccc(c(c1)c2ccc(CCC=O)cc2)C(F)(F)F
InChi:	InChI=1S/C16H12F4O/c17-13-7-8-15(16(18,19)20)14(10-13)12-5-3-11(4-6-12)2-1-9-21/h3-10H,1-2H2
Definition date:	2019-07-31
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal

DO9

DO9
Name:	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea
Formula:	C19 H15 N5 S2
SMILES:	S=C(NCc1cnc2scc(C#CC3CC3)n12)Nc4ccc(cc4)C#N
InChi:	InChI=1S/C19H15N5S2/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25)
Definition date:	2019-08-20
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]thiourea

DU6

DU6
Name:	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea
Formula:	C19 H15 N5 O S
SMILES:	O=C(NCc1cnc2scc(C#CC3CC3)n12)Nc4ccc(cc4)C#N
InChi:	InChI=1S/C19H15N5OS/c20-9-14-3-6-15(7-4-14)23-18(25)21-10-17-11-22-19-24(17)16(12-26-19)8-5-13-1-2-13/h3-4,6-7,11-13H,1-2,10H2,(H2,21,23,25)
Definition date:	2019-08-27
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	1-(4-cyanophenyl)-3-[[3-(2-cyclopropylethynyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]urea

DYC

DYC
Name:	3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole
Formula:	C11 H7 Br N2 S
SMILES:	Brc1ccc(cc1)c2csc3nccn23
InChi:	InChI=1S/C11H7BrN2S/c12-9-3-1-8(2-4-9)10-7-15-11-13-5-6-14(10)11/h1-7H
Definition date:	2019-09-18
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole

GZ0

GZ0
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S},5~{S},6~{S})-6-[(1~{S})-1,2-bis(oxidanyl)ethyl]-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:	C17 H27 N5 O17 P2
SMILES:	OP(OC1OC(C(C(C1O)O)O)C(O)CO)(=O)OP(=O)(O)OCC2C(O)C(C(O2)n3cnc4c3NC(=NC4=O)N)O
InChi:	InChI=1S/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5+,7+,8-,9-,10+,11-,12-,15+,16+/m0/s1
Definition date:	2020-01-31
Last modified:	2020-03-20
Release date:	2020-03-25
Identifier:	[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6S)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

JC8

JC8
Name:	6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide
Formula:	C17 H17 F N4 O
SMILES:	NC(=O)c1ccc(nc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4
InChi:	InChI=1S/C17H17FN4O/c18-16-13(14-3-1-9(7-20-14)17(19)23)5-10(8-21-16)12-6-11-2-4-15(12)22-11/h1,3,5,7-8,11-12,15,22H,2,4,6H2,(H2,19,23)/t11-,12+,15+/m0/s1
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide

JCE

JCE
Name:	5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine
Formula:	C17 H15 N5
SMILES:	Nc1cc([nH]n1)c2ccc3ccn(Cc4ccccn4)c3c2
InChi:	InChI=1S/C17H15N5/c18-17-10-15(20-21-17)13-5-4-12-6-8-22(16(12)9-13)11-14-3-1-2-7-19-14/h1-10H,11H2,(H3,18,20,21)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine

JCK

JCK
Name:	5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C24 H24 N6
SMILES:	Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2)c1C#N
InChi:	InChI=1S/C24H24N6/c25-14-21-23(27-28-24(21)26)20-8-7-19-9-12-30(22(19)13-20)16-18-5-3-17(4-6-18)15-29-10-1-2-11-29/h3-9,12-13H,1-2,10-11,15-16H2,(H3,26,27,28)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

JCW

JCW
Name:	2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide
Formula:	C17 H17 F N4 O
SMILES:	NC(=O)c1ccnc(c1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4
InChi:	InChI=1S/C17H17FN4O/c18-16-13(15-6-9(17(19)23)3-4-20-15)5-10(8-21-16)12-7-11-1-2-14(12)22-11/h3-6,8,11-12,14,22H,1-2,7H2,(H2,19,23)/t11-,12+,14+/m0/s1
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide

JCZ

JCZ
Name:	3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine
Formula:	C11 H10 N4
SMILES:	Nc1[nH]nc(c1)c2ccc3cc[nH]c3c2
InChi:	InChI=1S/C11H10N4/c12-11-6-10(14-15-11)8-2-1-7-3-4-13-9(7)5-8/h1-6,13H,(H3,12,14,15)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine

JD2

JD2
Name:	5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C18 H14 N6
SMILES:	Nc1[nH]nc(c2ccc3ccn(Cc4ccccn4)c3c2)c1C#N
InChi:	InChI=1S/C18H14N6/c19-10-15-17(22-23-18(15)20)13-5-4-12-6-8-24(16(12)9-13)11-14-3-1-2-7-21-14/h1-9H,11H2,(H3,20,22,23)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

JDH

JDH
Name:	5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C25 H27 N7
SMILES:	CN1CCN(CC1)Cc2ccc(Cn3ccc4ccc(cc34)c5n[nH]c(N)c5C#N)cc2
InChi:	InChI=1S/C25H27N7/c1-30-10-12-31(13-11-30)16-18-2-4-19(5-3-18)17-32-9-8-20-6-7-21(14-23(20)32)24-22(15-26)25(27)29-28-24/h2-9,14H,10-13,16-17H2,1H3,(H3,27,28,29)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-azanyl-3-[1-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

JEQ

JEQ
Name:	5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
Formula:	C25 H26 N6
SMILES:	Nc1[nH]nc(c2ccc3ccn(C[CH]4CCCN(C4)Cc5ccccc5)c3c2)c1C#N
InChi:	InChI=1S/C25H26N6/c26-14-22-24(28-29-25(22)27)21-9-8-20-10-12-31(23(20)13-21)17-19-7-4-11-30(16-19)15-18-5-2-1-3-6-18/h1-3,5-6,8-10,12-13,19H,4,7,11,15-17H2,(H3,27,28,29)/t19-/m1/s1
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile

JFH

JFH
Name:	3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine
Formula:	C23 H25 N5
SMILES:	Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2
InChi:	InChI=1S/C23H25N5/c24-23-14-21(25-26-23)20-8-7-19-9-12-28(22(19)13-20)16-18-5-3-17(4-6-18)15-27-10-1-2-11-27/h3-9,12-14H,1-2,10-11,15-16H2,(H3,24,25,26)
Definition date:	2019-02-19
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine

JGH

JGH
Name:	1:2 Ce-substituted Keggin
Formula:	Ce H2 O78 P2 W22
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[PH]23[O]45[W]678O[W]9%10O[W]1%11%12O[W]4%13(O6)O[W]%14%15(O%11)O[W]%16%17%18O[W]5(O7)(O%13)O[W]%19%20(O[W]%21(O9)(O8)O[W]%22(O%19)(O[W](O%14)(O%16)(O[Ce]%23%24%25(O%10)(O[W]%26%27O[W]%28%29(O[PH]%30%31[O]%32%33[W]%34%35(O%26)O[W]%36%37(O%27)O[W]%38%39%40O[W]%32%41(O%34)O[W]%33(O%28)(O%35)O[W]%42%43(O%29)O[W]%44(O%41)(O%38)O[W](O%42)(O[W](O%36)(O%39)(O%23)[O]%30%37%40)(O%24)[O]%31%43%44)O%25)(O%12)O%22)[O]2%15%17)[O]3%20%21)O%18
InChi:	InChI=1S/Ce.2HO4P.22H2O.48O.22W/c
Definition date:	2019-02-21
Last modified:	2020-03-13
Release date:	2020-03-18

JGK

JGK
Name:	~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
Formula:	C25 H23 N3 O5
SMILES:	CCOc1ccc(cc1c2cc(NC(=O)c3occc3)cc(c2)c4c(C)onc4N)C(C)=O
InChi:	InChI=1S/C25H23N3O5/c1-4-31-21-8-7-16(14(2)29)13-20(21)17-10-18(23-15(3)33-28-24(23)26)12-19(11-17)27-25(30)22-6-5-9-32-22/h5-13H,4H2,1-3H3,(H2,26,28)(H,27,30)
Definition date:	2019-02-22
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide

JH8

JH8
Name:	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide
Formula:	C22 H20 N4 O
SMILES:	CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccccc34
InChi:	InChI=1S/C22H20N4O/c1-25(2)22(27)15-26-14-19(12-24-26)16-7-9-17(10-8-16)21-13-23-11-18-5-3-4-6-20(18)21/h3-14H,15H2,1-2H3
Definition date:	2019-02-25
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide

JHK

JHK
Name:	~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide
Formula:	C21 H19 N5 O
SMILES:	CN(C)C(=O)Cn1cc(cn1)c2ccc(cc2)c3cncc4ccncc34
InChi:	InChI=1S/C21H19N5O/c1-25(2)21(27)14-26-13-18(10-24-26)15-3-5-16(6-4-15)19-12-23-9-17-7-8-22-11-20(17)19/h3-13H,14H2,1-2H3
Definition date:	2019-02-26
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide

JHW

JHW
Name:	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one
Formula:	C17 H12 N4 O S
SMILES:	O=C1N(C=Nc2ccc3nc(sc3c12)c4cccnc4)C5CC5
InChi:	InChI=1S/C17H12N4OS/c22-17-14-12(19-9-21(17)11-3-4-11)5-6-13-15(14)23-16(20-13)10-2-1-7-18-8-10/h1-2,5-9,11H,3-4H2
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one

JJ2

JJ2
Name:	1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one
Formula:	C18 H19 Cl2 N3 O
SMILES:	CN(C)CCN1C=Cc2n(Cc3ccc(Cl)c(Cl)c3)ccc2C1=O
InChi:	InChI=1S/C18H19Cl2N3O/c1-21(2)9-10-22-8-6-17-14(18(22)24)5-7-23(17)12-13-3-4-15(19)16(20)11-13/h3-8,11H,9-10,12H2,1-2H3
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one

JJ5

JJ5
Name:	1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one
Formula:	C14 H10 Cl2 N2 O
SMILES:	Clc1ccc(Cn2ccc3C(=O)N=CCc23)cc1Cl
InChi:	InChI=1S/C14H10Cl2N2O/c15-11-2-1-9(7-12(11)16)8-18-6-4-10-13(18)3-5-17-14(10)19/h1-2,4-7H,3,8H2
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one

JJ8

JJ8
Name:	1-[(3,4-dichlorophenyl)methyl]imidazole
Formula:	C10 H8 Cl2 N2
SMILES:	Clc1ccc(Cn2ccnc2)cc1Cl
InChi:	InChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2
Definition date:	2019-02-27
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	1-[(3,4-dichlorophenyl)methyl]imidazole

Q5A

Q5A
Name:	N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
Formula:	C19 H23 F N4 O2 S
SMILES:	Cc1nc(sc1)NC(C2CCN(CC2)C(N(C)Cc3ccc(cc3)F)=O)=O
InChi:	InChI=1S/C19H23FN4O2S/c1-13-12-27-18(21-13)22-17(25)15-7-9-24(10-8-15)19(26)23(2)11-14-3-5-16(20)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,21,22,25)
Definition date:	2019-09-23
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

S9Y

S9Y
Name:	2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
Formula:	C18 H39 N O6 P
SMILES:	CCCCCCCCCC(=O)O[CH](C)CO[P](O)(=O)OCC[N+](C)(C)C
InChi:	InChI=1S/C18H38NO6P/c1-6-7-8-9-10-11-12-13-18(20)25-17(2)16-24-26(21,22)23-15-14-19(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
Definition date:	2020-03-06
Last modified:	2020-03-13
Release date:	2020-03-18
Identifier:	2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

M6O

M6O
Name:	lauric acid functionalized hexamolybdoaluminate
Formula:	C16 H30 Al Mo6 N O25
SMILES:	O.O.O.O.O.O.O.O.O.O.O.O.CCCCCCCCCCCC(=O)N[C]12C[O]34[Mo]5O[Mo]36O[Mo]7O[Mo]89O[Mo]%10(O8)O[Mo]%11(O5)O[Al]4(O6)([O]79C1)[O]%10%11C2
InChi:	InChI=1S/C16H30NO4.Al.6Mo.12H2O.9O/c1-2-3-4-5-6-7-8-9-10-11-15(21)17-16(12-18,13-19)14-20
Definition date:	2020-01-23
Last modified:	2020-03-13
Release date:	2020-03-18

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