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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

RYA

RYA
Name:	(7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one
Formula:	C17 H15 F2 N5 O2
SMILES:	C[CH]1N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(C)C1=O
InChi:	InChI=1S/C17H15F2N5O2/c1-4-5-24-9(2)16(26)23(3)13-8-20-17(22-15(13)24)21-10-6-11(18)14(25)12(19)7-10/h1,6-9,25H,5H2,2-3H3,(H,20,21,22)/t9-/m1/s1
Definition date:	2020-03-02
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	(7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one

RZG

RZG
Name:	methyl 4-sulfamoylbenzoate
Formula:	C8 H9 N O4 S
SMILES:	COC(=O)c1ccc(cc1)[S](N)(=O)=O
InChi:	InChI=1S/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
Definition date:	2020-03-03
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	methyl 4-sulfamoylbenzoate

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

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

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

O5D

O5D
Name:	[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone
Formula:	C22 H24 Cl N5 O3
SMILES:	c1(nnc(c1)c2cc(c(cn2)N)C)C(N4CCOCC4Cc3c(cccc3OC)Cl)=O
InChi:	InChI=1S/C22H24ClN5O3/c1-13-8-18(25-11-17(13)24)19-10-20(27-26-19)22(29)28-6-7-31-12-14(28)9-15-16(23)4-3-5-21(15)30-2/h3-5,8,10-11,14H,6-7,9,12,24H2,1-2H3,(H,26,27)/t14-/m1/s1
Definition date:	2019-06-11
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	[3-(5-amino-4-methylpyridin-2-yl)-1H-pyrazol-5-yl]{(3R)-3-[(2-chloro-6-methoxyphenyl)methyl]morpholin-4-yl}methanone

O5G

O5G
Name:	{(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone
Formula:	C22 H24 N4 O3
SMILES:	c3(C(N2CCOCC2Cc1ccccc1OC)=O)cc(nn3)c4cc(ccn4)C
InChi:	InChI=1S/C22H24N4O3/c1-15-7-8-23-18(11-15)19-13-20(25-24-19)22(27)26-9-10-29-14-17(26)12-16-5-3-4-6-21(16)28-2/h3-8,11,13,17H,9-10,12,14H2,1-2H3,(H,24,25)/t17-/m1/s1
Definition date:	2019-06-11
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	{(3R)-3-[(2-methoxyphenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone

O5J

O5J
Name:	3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione
Formula:	C24 H20 N2 O4
SMILES:	C3(C(c1ccccc1)(c2ccccc2)NC(N3CC(c4ccc(cc4)OC)=O)=O)=O
InChi:	InChI=1S/C24H20N2O4/c1-30-20-14-12-17(13-15-20)21(27)16-26-22(28)24(25-23(26)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,25,29)
Definition date:	2019-06-11
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	3-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-diphenylimidazolidine-2,4-dione

O5M

O5M
Name:	{(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone
Formula:	C21 H21 F N4 O2
SMILES:	c3(C(N2CCOCC2Cc1c(cccc1)F)=O)cc(nn3)c4cc(ccn4)C
InChi:	InChI=1S/C21H21FN4O2/c1-14-6-7-23-18(10-14)19-12-20(25-24-19)21(27)26-8-9-28-13-16(26)11-15-4-2-3-5-17(15)22/h2-7,10,12,16H,8-9,11,13H2,1H3,(H,24,25)/t16-/m1/s1
Definition date:	2019-06-11
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	{(3R)-3-[(2-fluorophenyl)methyl]morpholin-4-yl}[3-(4-methylpyridin-2-yl)-1H-pyrazol-5-yl]methanone

O5P

O5P
Name:	[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone
Formula:	C21 H22 N4 O2
SMILES:	c4(cc(c3cc(C(N2CCOCC2Cc1ccccc1)=O)nn3)ncc4)C
InChi:	InChI=1S/C21H22N4O2/c1-15-7-8-22-18(11-15)19-13-20(24-23-19)21(26)25-9-10-27-14-17(25)12-16-5-3-2-4-6-16/h2-8,11,13,17H,9-10,12,14H2,1H3,(H,23,24)/t17-/m1/s1
Definition date:	2019-06-11
Last modified:	2020-03-06
Release date:	2020-03-11
Identifier:	[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone

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

J95

J95
Name:	~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide
Formula:	C17 H26 Cl N3 O3 S
SMILES:	CCCCNC(=O)c1cc(c(Cl)cc1NC2CCCCC2)[S](N)(=O)=O
InChi:	InChI=1S/C17H26ClN3O3S/c1-2-3-9-20-17(22)13-10-16(25(19,23)24)14(18)11-15(13)21-12-7-5-4-6-8-12/h10-12,21H,2-9H2,1H3,(H,20,22)(H2,19,23,24)
Definition date:	2019-02-12
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide

KJE

KJE
Name:	18-carboxymethoxy-cleaviminium
Formula:	C21 H25 N2 O2
SMILES:	CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4ccccc4[CH]3CC[N+](=C1)C2
InChi:	InChI=1S/C21H25N2O2/c1-3-14-10-15-11-18(21(24)25-2)20-17(8-9-23(12-14)13-15)16-6-4-5-7-19(16)22-20/h4-7,10,12,15,17-18H,3,8-9,11,13H2,1-2H3/q+1/t15-,17+,18+/m0/s1
Definition date:	2019-05-22
Last modified:	2020-02-28
Release date:	2020-03-04

M6Z

M6Z
Name:	5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
Formula:	C9 H8 I N3 O
SMILES:	CNC(=O)c1n[nH]c2ccc(I)cc12
InChi:	InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide

M78

M78
Name:	~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide
Formula:	C12 H14 N2 O
SMILES:	CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChi:	InChI=1S/C12H14N2O/c1-7-8(2)14-11-5-4-9(6-10(7)11)12(15)13-3/h4-6,14H,1-3H3,(H,13,15)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide

MJE

MJE
Name:	4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid
Formula:	C20 H12 Cl2 N2 O3 S
SMILES:	Cc1sc2c(c1)n(nc2c3ccc(cc3)C(O)=O)C(=O)c4c(Cl)cccc4Cl
InChi:	InChI=1S/C20H12Cl2N2O3S/c1-10-9-15-18(28-10)17(11-5-7-12(8-6-11)20(26)27)23-24(15)19(25)16-13(21)3-2-4-14(16)22/h2-9H,1H3,(H,26,27)
Definition date:	2019-10-15
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid

KXW

KXW
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
Formula:	C22 H31 N9 O5
SMILES:	N[CH](CCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O
InChi:	InChI=1S/C22H31N9O5/c23-13(22(34)35)5-9-30(8-3-7-26-15-4-1-2-6-25-15)10-14-17(32)18(33)21(36-14)31-12-29-16-19(24)27-11-28-20(16)31/h1-2,4,6,11-14,17-18,21,32-33H,3,5,7-10,23H2,(H,25,26)(H,34,35)(H2,24,27,28)/t13-,14+,17+,18+,21+/m0/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid

KY2

KY2
Name:	1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
Formula:	C17 H30 N10 O3
SMILES:	NCCCN(CCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C17H30N10O3/c18-3-1-5-26(6-2-4-22-17(20)21)7-10-12(28)13(29)16(30-10)27-9-25-11-14(19)23-8-24-15(11)27/h8-10,12-13,16,28-29H,1-7,18H2,(H2,19,23,24)(H4,20,21,22)/t10-,12-,13-,16-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine

KY5

KY5
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
Formula:	C21 H31 N9 O3
SMILES:	NCCCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C21H31N9O3/c22-6-3-9-29(10-4-8-25-15-5-1-2-7-24-15)11-14-17(31)18(32)21(33-14)30-13-28-16-19(23)26-12-27-20(16)30/h1-2,5,7,12-14,17-18,21,31-32H,3-4,6,8-11,22H2,(H,24,25)(H2,23,26,27)/t14-,17-,18-,21-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol

KY8

KY8
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
Formula:	C20 H30 N10 O3
SMILES:	NCCCN(CCCNc1ncccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C20H30N10O3/c21-4-1-8-29(9-3-7-25-20-23-5-2-6-24-20)10-13-15(31)16(32)19(33-13)30-12-28-14-17(22)26-11-27-18(14)30/h2,5-6,11-13,15-16,19,31-32H,1,3-4,7-10,21H2,(H2,22,26,27)(H,23,24,25)/t13-,15-,16-,19-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol

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