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WXA

WXA
Name:	5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C14 H20 N4 O2 S
SMILES:	C1CCC(CN1c3c2c(CC)cnc2ncn3)S(C)(=O)=O
InChi:	InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m1/s1
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

WXD

WXD
Name:	5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:	C14 H20 N4 O2 S
SMILES:	c3(N1CCCC(C1)S(C)(=O)=O)c2c(CC)cnc2ncn3
InChi:	InChI=1S/C14H20N4O2S/c1-3-10-7-15-13-12(10)14(17-9-16-13)18-6-4-5-11(8-18)21(2,19)20/h7,9,11H,3-6,8H2,1-2H3,(H,15,16,17)/t11-/m0/s1
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine

WXG

WXG
Name:	1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one
Formula:	C11 H13 N5 O S
SMILES:	c1(ncnc2ncnc12)SCCN3C(=O)CCC3
InChi:	InChI=1S/C11H13N5OS/c17-8-2-1-3-16(8)4-5-18-11-9-10(13-6-12-9)14-7-15-11/h6-7H,1-5H2,(H,12,13,14,15)
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one

WXJ

WXJ
Name:	4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile
Formula:	C14 H12 N6 O
SMILES:	c3c(OCCN1C=2C(=C(N)N=C1)N=CN=2)ccc(c3)C#N
InChi:	InChI=1S/C14H12N6O/c15-7-10-1-3-11(4-2-10)21-6-5-20-9-19-13(16)12-14(20)18-8-17-12/h1-4,8-9H,5-6,16H2
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile

WXS

WXS
Name:	4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one
Formula:	C10 H8 N4 O3 S
SMILES:	c2(c1c(ncn1)ncn2)SCC3=C(C)OC(=O)O3
InChi:	InChI=1S/C10H8N4O3S/c1-5-6(17-10(15)16-5)2-18-9-7-8(12-3-11-7)13-4-14-9/h3-4H,2H2,1H3,(H,11,12,13,14)
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one

WXY

WXY
Name:	(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
Formula:	C16 H20 N4 O
SMILES:	C4CCC3(CCCN3C(c2c1c(ncc1)ncn2)=O)CC4
InChi:	InChI=1S/C16H20N4O/c21-15(13-12-5-9-17-14(12)19-11-18-13)20-10-4-8-16(20)6-2-1-3-7-16/h5,9,11H,1-4,6-8,10H2,(H,17,18,19)
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone

WY7

WY7
Name:	3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine
Formula:	C13 H10 N6 O2
SMILES:	c4(CN2C=NC(=C1N=CN=C12)N)cc(c3ccco3)on4
InChi:	InChI=1S/C13H10N6O2/c14-12-11-13(16-6-15-11)19(7-17-12)5-8-4-10(21-18-8)9-2-1-3-20-9/h1-4,6-7H,5,14H2
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine

WYA

WYA
Name:	3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one
Formula:	C14 H12 N8 O
SMILES:	c3c(N(C)Cc1n2c(nn1)C(=O)NC=C2)nc4c(c3)nccn4
InChi:	InChI=1S/C14H12N8O/c1-21(10-3-2-9-12(18-10)16-5-4-15-9)8-11-19-20-13-14(23)17-6-7-22(11)13/h2-7H,8H2,1H3,(H,17,23)
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one

WYG

WYG
Name:	[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
Formula:	C12 H14 N4 O3
SMILES:	c3cc2c(N1CC(CC(=O)O)OCC1)ncnc2n3
InChi:	InChI=1S/C12H14N4O3/c17-10(18)5-8-6-16(3-4-19-8)12-9-1-2-13-11(9)14-7-15-12/h1-2,7-8H,3-6H2,(H,17,18)(H,13,14,15)/t8-/m1/s1
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid

WYJ

WYJ
Name:	[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol
Formula:	C16 H18 N4 O2
SMILES:	c4cc2c(c1c(ncnc1n2)N3CC(C)OC(CO)C3)cc4
InChi:	InChI=1S/C16H18N4O2/c1-10-6-20(7-11(8-21)22-10)16-14-12-4-2-3-5-13(12)19-15(14)17-9-18-16/h2-5,9-11,21H,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1
Definition date:	2020-11-17
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol

WYY

WYY
Name:	3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid
Formula:	C14 H18 N4 O2
SMILES:	c13c(ncnc1N2CCCC(CCC(O)=O)C2)ncc3
InChi:	InChI=1S/C14H18N4O2/c19-12(20)4-3-10-2-1-7-18(8-10)14-11-5-6-15-13(11)16-9-17-14/h5-6,9-10H,1-4,7-8H2,(H,19,20)(H,15,16,17)/t10-/m0/s1
Definition date:	2020-11-18
Last modified:	2022-07-08
Release date:	2022-07-13
Identifier:	3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid

4CI

4CI
Name:	N-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide
Formula:	C21 H13 N O5 S
SMILES:	Oc1ccc2c(Oc3cc(O)ccc3[C]24OC(=O)c5cc(NC=S)ccc45)c1
InChi:	InChI=1S/C21H13NO5S/c23-12-2-5-16-18(8-12)26-19-9-13(24)3-6-17(19)21(16)15-4-1-11(22-10-28)7-14(15)20(25)27-21/h1-10,23-24H,(H,22,28)
Definition date:	2021-07-27
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	~{N}-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]methanethioamide

4IL

4IL
Name:	13-Oxofumitremorgin B
Formula:	C27 H31 N3 O5
SMILES:	COc1ccc2c(c1)n(CC=C(C)C)c3[CH](C=C(C)C)N4C(=O)[CH]5CCCN5C(=O)[C]4(O)C(=O)c23
InChi:	InChI=1S/C27H31N3O5/c1-15(2)10-12-28-20-14-17(35-5)8-9-18(20)22-23(28)21(13-16(3)4)30-25(32)19-7-6-11-29(19)26(33)27(30,34)24(22)31/h8-10,13-14,19,21,34H,6-7,11-12H2,1-5H3/t19-,21-,27+/m0/s1
Synonyms:	(1R,12S,15S)-1-hydroxy-7-methoxy-10-(3-methylbut-2-enyl)-12-(2-methylprop-1-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-2,14,20-trione
Definition date:	2022-02-02
Last modified:	2022-07-01
Release date:	2022-07-06

G4R

G4R
Name:	N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide
Formula:	C27 H40 N6 O3
SMILES:	CC(C)N1CCC(Nc2nc(NC(=O)C=C)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1
InChi:	InChI=1S/C27H40N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h5,17-20H,1,6-16H2,2-4H3,(H2,28,29,30,31,34)
Definition date:	2021-12-16
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide

G5U

G5U
Name:	N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide
Formula:	C27 H42 N6 O3
SMILES:	CC(C)N1CCC(Nc2nc(NC(=O)CC)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1
InChi:	InChI=1S/C27H42N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h17-20H,5-16H2,1-4H3,(H2,28,29,30,31,34)
Definition date:	2021-12-16
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide

5IV

5IV
Name:	~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
Formula:	C27 H23 F4 N3 O3 S
SMILES:	Fc1cccc(Cn2ccc3cc(ccc23)C(=O)NCc4ccc(N[S](=O)(=O)C5CC5)cc4C(F)(F)F)c1
InChi:	InChI=1S/C27H23F4N3O3S/c28-21-3-1-2-17(12-21)16-34-11-10-18-13-19(5-9-25(18)34)26(35)32-15-20-4-6-22(14-24(20)27(29,30)31)33-38(36,37)23-7-8-23/h1-6,9-14,23,33H,7-8,15-16H2,(H,32,35)
Definition date:	2021-07-12
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	~{N}-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide

5M5

5M5
Name:	(4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile
Formula:	C24 H24 N4 O2
SMILES:	CC(C)[C]1(c2cc(CO)cc(c2)c3ccccc3)C(=C(N)Oc4[nH]nc(C)c14)C#N
InChi:	InChI=1S/C24H24N4O2/c1-14(2)24(20(12-25)22(26)30-23-21(24)15(3)27-28-23)19-10-16(13-29)9-18(11-19)17-7-5-4-6-8-17/h4-11,14,29H,13,26H2,1-3H3,(H,27,28)/t24-/m0/s1
Definition date:	2021-08-19
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(4~{R})-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile

I0S

I0S
Name:	(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide
Formula:	C23 H25 N3 O4 S2
SMILES:	O=C(Nc1nc(cs1)c1ccc(OC)cc1)C1CCCCN1S(=O)(=O)c1ccc(C)cc1
InChi:	InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)
Definition date:	2022-01-04
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide

I3U

I3U
Name:	4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid
Formula:	C9 H18 N2 O4
SMILES:	NCCCCCN(O)C(=O)CCC(=O)O
InChi:	InChI=1S/C9H18N2O4/c10-6-2-1-3-7-11(15)8(12)4-5-9(13)14/h15H,1-7,10H2,(H,13,14)
Synonyms:	N-(3-carboxypropanoyl)-N-hydroxycadaverine
Definition date:	2022-01-10
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid

1KF

1KF
Name:	(3R)-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid
Formula:	C25 H27 F3 N2 O3
SMILES:	C[CH](CCCOc1ccccc1Cn2c(C)cnc2c3ccc(cc3)C(F)(F)F)CC(O)=O
InChi:	InChI=1S/C25H27F3N2O3/c1-17(14-23(31)32)6-5-13-33-22-8-4-3-7-20(22)16-30-18(2)15-29-24(30)19-9-11-21(12-10-19)25(26,27)28/h3-4,7-12,15,17H,5-6,13-14,16H2,1-2H3,(H,31,32)/t17-/m1/s1
Definition date:	2021-07-02
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	(3~{R})-3-methyl-6-[2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenoxy]hexanoic acid

GCI

GCI
Name:	N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
Formula:	C34 H38 N6 O9 S2
SMILES:	COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCN4CCOCC4)cc3)c5ccccc25
InChi:	InChI=1S/C34H38N6O9S2/c1-48-25-8-12-27(13-9-25)51(46,47)40(23-33(36)42)31-15-14-30(28-4-2-3-5-29(28)31)39(22-32(35)41)50(44,45)26-10-6-24(7-11-26)37-34(43)16-17-38-18-20-49-21-19-38/h2-15H,16-23H2,1H3,(H2,35,41)(H2,36,42)(H,37,43)
Definition date:	2022-05-06
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide

GDJ

GDJ
Name:	N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide
Formula:	C35 H41 N7 O8 S2
SMILES:	CCN1CCN(CC1)CC(=O)Nc2ccc(cc2)[S](=O)(=O)N(CC(N)=O)c3ccc(N(CC(N)=O)[S](=O)(=O)c4ccc(OC)cc4)c5ccccc35
InChi:	InChI=1S/C35H41N7O8S2/c1-3-39-18-20-40(21-19-39)24-35(45)38-25-8-12-27(13-9-25)51(46,47)41(22-33(36)43)31-16-17-32(30-7-5-4-6-29(30)31)42(23-34(37)44)52(48,49)28-14-10-26(50-2)11-15-28/h4-17H,3,18-24H2,1-2H3,(H2,36,43)(H2,37,44)(H,38,45)
Definition date:	2022-05-06
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide

GED

GED
Name:	N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
Formula:	C36 H43 N7 O8 S2
SMILES:	CCN1CCN(CC1)CCC(=O)Nc2ccc(cc2)[S](=O)(=O)N(CC(N)=O)c3ccc(N(CC(N)=O)[S](=O)(=O)c4ccc(OC)cc4)c5ccccc35
InChi:	InChI=1S/C36H43N7O8S2/c1-3-40-20-22-41(23-21-40)19-18-36(46)39-26-8-12-28(13-9-26)52(47,48)42(24-34(37)44)32-16-17-33(31-7-5-4-6-30(31)32)43(25-35(38)45)53(49,50)29-14-10-27(51-2)11-15-29/h4-17H,3,18-25H2,1-2H3,(H2,37,44)(H2,38,45)(H,39,46)
Definition date:	2022-05-06
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide

GFD

GFD
Name:	2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
Formula:	C27 H27 N5 O7 S2
SMILES:	COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(N)cc3)c4ccccc24
InChi:	InChI=1S/C27H27N5O7S2/c1-39-19-8-12-21(13-9-19)41(37,38)32(17-27(30)34)25-15-14-24(22-4-2-3-5-23(22)25)31(16-26(29)33)40(35,36)20-10-6-18(28)7-11-20/h2-15H,16-17,28H2,1H3,(H2,29,33)(H2,30,34)
Definition date:	2022-05-06
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide

GHF

GHF
Name:	N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide
Formula:	C26 H25 F N4 O4
SMILES:	COc1ccn2c(cc(C(=O)Nc3cc(cc(c3F)c4cnn(c4)C5CC5)[CH](C)O)c2c1)C(C)=O
InChi:	InChI=1S/C26H25FN4O4/c1-14(32)16-8-20(17-12-28-31(13-17)18-4-5-18)25(27)22(9-16)29-26(34)21-11-23(15(2)33)30-7-6-19(35-3)10-24(21)30/h6-14,18,32H,4-5H2,1-3H3,(H,29,34)/t14-/m0/s1
Definition date:	2022-05-09
Last modified:	2022-07-01
Release date:	2022-07-06
Identifier:	~{N}-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1~{S})-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide

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