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OBW

OBW
Name:	2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid
Formula:	C16 H10 N2 O2 S3
SMILES:	OC(=O)CSc1ncnc2cc(sc12)c3sc4ccccc4c3
InChi:	InChI=1S/C16H10N2O2S3/c19-14(20)7-21-16-15-10(17-8-18-16)6-13(23-15)12-5-9-3-1-2-4-11(9)22-12/h1-6,8H,7H2,(H,19,20)
Definition date:	2020-02-27
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid

QYA

QYA
Name:	2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide
Formula:	C12 H12 N4 O5 S
SMILES:	C1=CC(NC(N1CC(Nc2ccc(cc2)S(N)(=O)=O)=O)=O)=O
InChi:	InChI=1S/C12H12N4O5S/c13-22(20,21)9-3-1-8(2-4-9)14-11(18)7-16-6-5-10(17)15-12(16)19/h1-6H,7H2,(H,14,18)(H2,13,20,21)(H,15,17,19)
Definition date:	2020-01-15
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide

H6W

H6W
Name:	~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine
Formula:	C18 H21 N5 O2
SMILES:	CN(C)CCCNc1ccn2ncc(c3ccc4OCOc4c3)c2n1
InChi:	InChI=1S/C18H21N5O2/c1-22(2)8-3-7-19-17-6-9-23-18(21-17)14(11-20-23)13-4-5-15-16(10-13)25-12-24-15/h4-6,9-11H,3,7-8,12H2,1-2H3,(H,19,21)
Definition date:	2018-11-19
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	~{N}-[3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-~{N}',~{N}'-dimethyl-propane-1,3-diamine

H72

H72
Name:	4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
Formula:	C19 H16 N6 O
SMILES:	NC(=O)c1ccc(cc1)c2cnn3ccc(NCc4cccnc4)nc23
InChi:	InChI=1S/C19H16N6O/c20-18(26)15-5-3-14(4-6-15)16-12-23-25-9-7-17(24-19(16)25)22-11-13-2-1-8-21-10-13/h1-10,12H,11H2,(H2,20,26)(H,22,24)
Definition date:	2018-11-19
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

QMG

QMG
Name:	3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide
Formula:	C20 H19 N3 O2
SMILES:	C1C(C1)NC(c4ccc(C)c(c2cc(C(C)=O)n3c2nccc3)c4)=O
InChi:	InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)
Definition date:	2019-11-20
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide

MXJ

MXJ
Name:	(3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
Formula:	C16 H22 Cl F N4 O2
SMILES:	CCCNC(=O)N2CC(C(Nc1cc(F)c(Cl)cc1)=O)CC(C2)N
InChi:	InChI=1S/C16H22ClFN4O2/c1-2-5-20-16(24)22-8-10(6-11(19)9-22)15(23)21-12-3-4-13(17)14(18)7-12/h3-4,7,10-11H,2,5-6,8-9,19H2,1H3,(H,20,24)(H,21,23)/t10-,11+/m0/s1
Definition date:	2019-04-24
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	(3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide

RZJ

RZJ
Name:	1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide
Formula:	C10 H14 N2 O2 S
SMILES:	CN1CCCc2ccc(cc12)[S](N)(=O)=O
InChi:	InChI=1S/C10H14N2O2S/c1-12-6-2-3-8-4-5-9(7-10(8)12)15(11,13)14/h4-5,7H,2-3,6H2,1H3,(H2,11,13,14)
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide

OFQ

OFQ
Name:	(2-azanyl-2-adamantyl)methanol
Formula:	C11 H19 N O
SMILES:	NC1(CO)C2CC3CC(C2)CC1C3
InChi:	InChI=1S/C11H19NO/c12-11(6-13)9-2-7-1-8(4-9)5-10(11)3-7/h7-10,13H,1-6,12H2/t7-,8+,9-,10+,11-
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	(2-azanyl-2-adamantyl)methanol

OFW

OFW
Name:	(2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide
Formula:	C26 H35 N5 O6 S
SMILES:	C[C]1(CN(CCO1)[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)C(=O)NCC4(N)C5CC6CC(C5)CC4C6
InChi:	InChI=1S/C26H35N5O6S/c1-25(24(34)29-14-26(27)18-9-16-8-17(11-18)12-19(26)10-16)15-30(6-7-37-25)38(35,36)20-2-3-21(28-13-20)31-22(32)4-5-23(31)33/h2-3,13,16-19H,4-12,14-15,27H2,1H3,(H,29,34)/t16-,17+,18-,19+,25-,26-/m1/s1
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	(2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide

OFZ

OFZ
Name:	1-(2-adamantylmethyl)-3-ethyl-guanidine
Formula:	C14 H25 N3
SMILES:	CCNC(=N)NCC1C2CC3CC(C2)CC1C3
InChi:	InChI=1S/C14H25N3/c1-2-16-14(15)17-8-13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,2-8H2,1H3,(H3,15,16,17)/t9-,10+,11-,12+,13-
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	1-(2-adamantylmethyl)-3-ethyl-guanidine

OG2

OG2
Name:	1-(1-adamantyl)-3-ethyl-guanidine
Formula:	C13 H23 N3
SMILES:	CCNC(=N)NC12CC3CC(CC(C3)C1)C2
InChi:	InChI=1S/C13H23N3/c1-2-15-12(14)16-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H3,14,15,16)/t9-,10+,11-,13-
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	1-(1-adamantyl)-3-ethyl-guanidine

OG5

OG5
Name:	(3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide
Formula:	C29 H35 N5 O5 S
SMILES:	NC1(CNC(=O)C[CH](N[S](=O)(=O)c2ccc(nc2)N3C(=O)CCC3=O)c4ccccc4)C5CC6CC(C5)CC1C6
InChi:	InChI=1S/C29H35N5O5S/c30-29(21-11-18-10-19(13-21)14-22(29)12-18)17-32-26(35)15-24(20-4-2-1-3-5-20)33-40(38,39)23-6-7-25(31-16-23)34-27(36)8-9-28(34)37/h1-7,16,18-19,21-22,24,33H,8-15,17,30H2,(H,32,35)/t18-,19+,21-,22+,24-,29-/m1/s1
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	(3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide

OG8

OG8
Name:	1-(1-adamantylmethyl)guanidine
Formula:	C12 H21 N3
SMILES:	NC(=N)NCC12CC3CC(CC(C3)C1)C2
InChi:	InChI=1S/C12H21N3/c13-11(14)15-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2,(H4,13,14,15)/t8-,9+,10-,12-
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	1-(1-adamantylmethyl)guanidine

LMH

LMH
Name:	glucosyl-dolichol phosphate
Formula:	C31 H55 O9 P
SMILES:	C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C31H55O9P/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)19-20-38-41(36,37)40-31-30(35)29(34)28(33)27(21-32)39-31/h11,13,15,17,26-35H,7-10,12,14,16,18-21H2,1-6H3,(H,36,37)/b23-13+,24-15-,25-17-/t26-,27+,28+,29-,30+,31-/m0/s1
Definition date:	2019-08-25
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{S},6~{Z},10~{Z},14~{E})-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenyl] hydrogen phosphate

K8T

K8T
Name:	2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide
Formula:	C21 H20 N2 O3
SMILES:	OC1=CC=CN(CC(=O)NCCc2ccc(cc2)c3ccccc3)C1=O
InChi:	InChI=1S/C21H20N2O3/c24-19-7-4-14-23(21(19)26)15-20(25)22-13-12-16-8-10-18(11-9-16)17-5-2-1-3-6-17/h1-11,14,24H,12-13,15H2,(H,22,25)
Definition date:	2019-05-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)-~{N}-[2-(4-phenylphenyl)ethyl]ethanamide

PKS

PKS
Name:	2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol
Formula:	C24 H35 N O3
SMILES:	CC(C(O)C(C)=[C@H]C)C=C(C=CCC(=[C@H]Cc1nc(cc(O)c1C)OC)C)C
InChi:	InChI=1S/C24H35NO3/c1-8-18(4)24(27)19(5)14-17(3)11-9-10-16(2)12-13-21-20(6)22(26)15-23(25-21)28-7/h8-9,11-12,14-15,19,24,27H,10,13H2,1-7H3,(H,25,26)/b11-9+,16-12+,17-14+,18-8+/t19-,24+/m1/s1
Definition date:	2019-08-15
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraen-1-yl]-6-methoxy-3-methylpyridin-4-ol

CQC

CQC
Name:	5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione
Formula:	C21 H17 N3 O4
SMILES:	CN1N=C(C)C(=C(O)c2ccc3C(=O)N(Cc4ccccc4)C(=O)c3c2)C1=O
InChi:	InChI=1S/C21H17N3O4/c1-12-17(21(28)23(2)22-12)18(25)14-8-9-15-16(10-14)20(27)24(19(15)26)11-13-6-4-3-5-7-13/h3-10,25H,11H2,1-2H3/b18-17-
Definition date:	2019-05-10
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	5-[(~{Z})-(1,3-dimethyl-5-oxidanylidene-pyrazol-4-ylidene)-oxidanyl-methyl]-2-(phenylmethyl)isoindole-1,3-dione

EQ9

EQ9
Name:	1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one
Formula:	C22 H26 N6 O3
SMILES:	Cc1onc(n1)c2ccc(OCCCCCN3CCN(C3=O)c4ccnc(N)c4)cc2
InChi:	InChI=1S/C22H26N6O3/c1-16-25-21(26-31-16)17-5-7-19(8-6-17)30-14-4-2-3-11-27-12-13-28(22(27)29)18-9-10-24-20(23)15-18/h5-10,15H,2-4,11-14H2,1H3,(H2,23,24)
Definition date:	2020-01-20
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one

HWH

HWH
Name:	~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide
Formula:	C12 H13 F N2 O
SMILES:	CC(=O)NCCc1c[nH]c2ccc(F)cc12
InChi:	InChI=1S/C12H13FN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
Definition date:	2019-01-01
Last modified:	2020-03-03
Release date:	2020-01-08
Identifier:	~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide

YZM

YZM
Name:	N-carbamoylbenzamide
Formula:	C8 H8 N2 O2
SMILES:	O=C(NC(=O)N)c1ccccc1
InChi:	InChI=1S/C8H8N2O2/c9-8(12)10-7(11)6-4-2-1-3-5-6/h1-5H,(H3,9,10,11,12)
Definition date:	2012-12-18
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	N-carbamoylbenzamide

NWQ

NWQ
Name:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide
Formula:	C11 H14 N6 O4
SMILES:	CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C11H14N6O4/c1-13-10(20)7-5(18)6(19)11(21-7)17-3-16-4-8(12)14-2-15-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,13,20)(H2,12,14,15)/t5-,6+,7-,11+/m0/s1
Definition date:	2020-01-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

NWW

NWW
Name:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide
Formula:	C10 H12 N6 O4
SMILES:	NC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)/t4-,5+,6-,10+/m0/s1
Definition date:	2020-01-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide

NWZ

NWZ
Name:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide
Formula:	C15 H21 N7 O4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NC4CCNCC4
InChi:	InChI=1S/C15H21N7O4/c16-12-8-13(19-5-18-12)22(6-20-8)15-10(24)9(23)11(26-15)14(25)21-7-1-3-17-4-2-7/h5-7,9-11,15,17,23-24H,1-4H2,(H,21,25)(H2,16,18,19)/t9-,10+,11-,15+/m0/s1
Definition date:	2020-01-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-piperidin-4-yl-oxolane-2-carboxamide

NX8

NX8
Name:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide
Formula:	C16 H23 N7 O4
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]([CH](O)[CH]3O)C(=O)NCC4CCNCC4
InChi:	InChI=1S/C16H23N7O4/c17-13-9-14(21-6-20-13)23(7-22-9)16-11(25)10(24)12(27-16)15(26)19-5-8-1-3-18-4-2-8/h6-8,10-12,16,18,24-25H,1-5H2,(H,19,26)(H2,17,20,21)/t10-,11+,12-,16+/m0/s1
Definition date:	2020-01-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-(piperidin-4-ylmethyl)oxolane-2-carboxamide

NXB

NXB
Name:	(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol
Formula:	C11 H16 N6 O3
SMILES:	N[CH]1CO[CH](Cn2cnc3c(N)ncnc23)[CH](O)[CH]1O
InChi:	InChI=1S/C11H16N6O3/c12-5-2-20-6(9(19)8(5)18)1-17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9+/m1/s1
Definition date:	2020-01-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol

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