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MK9

MK9
Name:	N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide
Formula:	C32 H39 Cl2 N7 O4
SMILES:	Clc1c(c(c(cc1OC)OC)Cl)N2C(N(c3c(C2)cnc(NCCCCN(CC)CC)n3)Cc4cc(ccc4)NC(C=C)=O)=O
InChi:	InChI=1S/C32H39Cl2N7O4/c1-6-26(42)37-23-13-11-12-21(16-23)19-41-30-22(18-36-31(38-30)35-14-9-10-15-39(7-2)8-3)20-40(32(41)43)29-27(33)24(44-4)17-25(45-5)28(29)34/h6,11-13,16-18H,1,7-10,14-15,19-20H2,2-5H3,(H,37,42)(H,35,36,38)
Definition date:	2017-02-15
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	N-(3-{[3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-{[4-(diethylamino)butyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)prop-2-enamide

D8Z

D8Z
Name:	Artemether
Formula:	C16 H26 O5
SMILES:	CO[CH]1O[CH]2O[C]3(C)CC[CH]4[CH](C)CC[CH]([CH]1C)[C]24OO3
InChi:	InChI=1S/C16H26O5/c1-9-5-6-12-10(2)13(17-4)18-14-16(12)11(9)7-8-15(3,19-14)20-21-16/h9-14H,5-8H2,1-4H3/t9-,10-,11+,12+,13+,14-,15-,16-/m1/s1
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16

D95

D95
Name:	Artesunate
Formula:	C19 H28 O8
SMILES:	C[CH]1CC[CH]2[CH](C)[CH](O[CH]3O[C]4(C)CC[CH]1[C]23OO4)OC(=O)CCC(O)=O
InChi:	InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16

EGP

EGP
Name:	N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea
Formula:	C31 H39 N7 O2 S
SMILES:	n2(cc(CN1CCN(C)CC1)c3ccc(cc23)NC(NCCc4cnc5ccccc45)=S)CC(=O)N6CCOCC6
InChi:	InChI=1S/C31H39N7O2S/c1-35-10-12-36(13-11-35)20-24-21-38(22-30(39)37-14-16-40-17-15-37)29-18-25(6-7-27(24)29)34-31(41)32-9-8-23-19-33-28-5-3-2-4-26(23)28/h2-7,18-19,21,33H,8-17,20,22H2,1H3,(H2,32,34,41)
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea

EH1

EH1
Name:	4-cyclohexylbenzoic acid
Formula:	C13 H16 O2
SMILES:	C1(CCCCC1)c2ccc(C(=O)O)cc2
InChi:	InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
Definition date:	2018-01-10
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	4-cyclohexylbenzoic acid

EHY

EHY
Name:	N-(2-phenylethyl)-N'-pyridin-3-ylthiourea
Formula:	C14 H15 N3 S
SMILES:	c1ccc(cc1)CCNC(Nc2cccnc2)=S
InChi:	InChI=1S/C14H15N3S/c18-14(17-13-7-4-9-15-11-13)16-10-8-12-5-2-1-3-6-12/h1-7,9,11H,8,10H2,(H2,16,17,18)
Definition date:	2018-01-11
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	N-(2-phenylethyl)-N'-pyridin-3-ylthiourea

EJD

EJD
Name:	4-(thiophen-3-yl)benzoic acid
Formula:	C11 H8 O2 S
SMILES:	c1(ccsc1)c2ccc(C(O)=O)cc2
InChi:	InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13)
Definition date:	2018-01-13
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	4-(thiophen-3-yl)benzoic acid

EJV

EJV
Name:	4-heptylbenzoic acid
Formula:	C14 H20 O2
SMILES:	c1cc(ccc1C(O)=O)CCCCCCC
InChi:	InChI=1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16)
Definition date:	2018-01-15
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	4-heptylbenzoic acid

EKA

EKA
Name:	[cyclohexyl(hydroxy)amino](oxo)acetic acid
Formula:	C8 H13 N O4
SMILES:	C(C(N(C1CCCCC1)O)=O)(O)=O
InChi:	InChI=1S/C8H13NO4/c10-7(8(11)12)9(13)6-4-2-1-3-5-6/h6,13H,1-5H2,(H,11,12)
Definition date:	2018-01-16
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	[cyclohexyl(hydroxy)amino](oxo)acetic acid

EKD

EKD
Name:	(cyclohexylamino)(oxo)acetic acid
Formula:	C8 H13 N O3
SMILES:	C(C(NC1CCCCC1)=O)(O)=O
InChi:	InChI=1S/C8H13NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h6H,1-5H2,(H,9,10)(H,11,12)
Definition date:	2018-01-16
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	(cyclohexylamino)(oxo)acetic acid

EKV

EKV
Name:	N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine
Formula:	C28 H37 N O2 Si
SMILES:	CC(C#CC#CCN(Cc1cc(ccc1)OC[Si](c2ccccc2C)(C)C)CC)(OC)C
InChi:	InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
Definition date:	2018-01-19
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	N-[(3-{[dimethyl(2-methylphenyl)silyl]methoxy}phenyl)methyl]-N-ethyl-6-methoxy-6-methylhepta-2,4-diyn-1-amine

EMV

EMV
Name:	(2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine
Formula:	C27 H31 N O S2
SMILES:	c2c(c1cscc1)csc2COc3cccc(c3)CN(CC=CC#CC(C)(C)C)CC
InChi:	InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
Definition date:	2018-01-22
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	(2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine

F0A

F0A
Name:	3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
Formula:	C27 H33 N O4
SMILES:	O=C(N)c1cc(ccc1)CC4C(O)C3(CCC5c2cc(c(cc2CCC5C3C4)O)OC)C
InChi:	InChI=1S/C27H33NO4/c1-27-9-8-19-20(7-6-16-13-23(29)24(32-2)14-21(16)19)22(27)12-18(25(27)30)11-15-4-3-5-17(10-15)26(28)31/h3-5,10,13-14,18-20,22,25,29-30H,6-9,11-12H2,1-2H3,(H2,28,31)/t18-,19-,20+,22-,25-,27-/m0/s1
Definition date:	2018-02-22
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-{[(9beta,14beta,16alpha,17alpha)-3,17-dihydroxy-2-methoxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide

F0D

F0D
Name:	3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide
Formula:	C28 H34 Br N O2
SMILES:	c1cc(CCBr)cc2c1C3C(CC2)C4C(CC3)(C(O)C(C4)Cc5cc(ccc5)C(N)=O)C
InChi:	InChI=1S/C28H34BrNO2/c1-28-11-9-23-22-7-5-17(10-12-29)13-19(22)6-8-24(23)25(28)16-21(26(28)31)15-18-3-2-4-20(14-18)27(30)32/h2-5,7,13-14,21,23-26,31H,6,8-12,15-16H2,1H3,(H2,30,32)/t21-,23+,24+,25-,26-,28-/m0/s1
Definition date:	2018-02-22
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-{[(14beta,16alpha,17alpha)-3-(2-bromoethyl)-17-hydroxyestra-1,3,5(10)-trien-16-yl]methyl}benzamide

F0J

F0J
Name:	2,4-dimethoxyphenol
Formula:	C8 H10 O3
SMILES:	COc1ccc(c(OC)c1)O
InChi:	InChI=1S/C8H10O3/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5,9H,1-2H3
Definition date:	2018-02-22
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	2,4-dimethoxyphenol

F0Z

F0Z
Name:	2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
Formula:	C10 H12 N2 S
SMILES:	Sc1ccccc1C2=NCCCN2
InChi:	InChI=1S/C10H12N2S/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
Definition date:	2018-05-16
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol

FFN

FFN
Name:	5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one
Formula:	C13 H9 F N2 O S
SMILES:	CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1
InChi:	InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)
Definition date:	2018-06-27
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one

FHJ

FHJ
Name:	dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
Formula:	C25 H27 N O5
SMILES:	c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)C(=O)OC)Cc4ccc(cc4)C
InChi:	InChI=1S/C25H27NO5/c1-16-9-11-17(12-10-16)15-20(26-18-7-5-4-6-8-18)25-14-13-19(31-25)21(23(27)29-2)22(25)24(28)30-3/h4-14,19-22,26H,15H2,1-3H3/t19-,20+,21+,22-,25-/m1/s1
Definition date:	2018-04-02
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

YY4

YY4
Name:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C30 H33 Cl2 N7 O4
SMILES:	COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c4c(C2)cnc(Nc3ccccc3)n4)C5CCN(C5)C([C@H]=CCN(C)C)=O)=O
InChi:	InChI=1S/C30H33Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h5-11,15-16,21H,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1
Definition date:	2017-02-03
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(phenylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

YY5

YY5
Name:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C27 H35 Cl2 N7 O4
SMILES:	COc1cc(OC)c(Cl)c(c1Cl)N2C(N(c3c(C2)cnc(NC(C)C)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O
InChi:	InChI=1S/C27H35Cl2N7O4/c1-16(2)31-26-30-13-17-14-35(24-22(28)19(39-5)12-20(40-6)23(24)29)27(38)36(25(17)32-26)18-9-11-34(15-18)21(37)8-7-10-33(3)4/h7-8,12-13,16,18H,9-11,14-15H2,1-6H3,(H,30,31,32)/b8-7+/t18-/m0/s1
Definition date:	2017-02-03
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-[(propan-2-yl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

YY6

YY6
Name:	7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C30 H39 Cl2 N7 O4
SMILES:	COc1cc(OC)c(Cl)c(c1Cl)N4Cc3cnc(NC2CCCCC2)nc3N(C4=O)C5CCN(C5)C([C@H]=CCN(C)C)=O
InChi:	InChI=1S/C30H39Cl2N7O4/c1-36(2)13-8-11-24(40)37-14-12-21(18-37)39-28-19(16-33-29(35-28)34-20-9-6-5-7-10-20)17-38(30(39)41)27-25(31)22(42-3)15-23(43-4)26(27)32/h8,11,15-16,20-21H,5-7,9-10,12-14,17-18H2,1-4H3,(H,33,34,35)/b11-8+/t21-/m0/s1
Definition date:	2017-02-03
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	7-(cyclohexylamino)-3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

YY7

YY7
Name:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
Formula:	C25 H31 Cl2 N7 O4
SMILES:	COc1c(Cl)c(c(c(c1)OC)Cl)N2C(N(c3c(C2)cnc(NC)n3)C4CCN(C4)C([C@H]=CCN(C)C)=O)=O
InChi:	InChI=1S/C25H31Cl2N7O4/c1-28-24-29-12-15-13-33(22-20(26)17(37-4)11-18(38-5)21(22)27)25(36)34(23(15)30-24)16-8-10-32(14-16)19(35)7-6-9-31(2)3/h6-7,11-12,16H,8-10,13-14H2,1-5H3,(H,28,29,30)/b7-6+/t16-/m0/s1
Definition date:	2017-02-03
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{(3S)-1-[(2E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl}-7-(methylamino)-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one

HUY

HUY
Name:	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one
Formula:	C15 H12 F3 N O
SMILES:	CC(c1ccccc1Nc2cccc(c2)C(F)(F)F)=O
InChi:	InChI=1S/C15H12F3NO/c1-10(20)13-7-2-3-8-14(13)19-12-6-4-5-11(9-12)15(16,17)18/h2-9,19H,1H3
Definition date:	2018-07-23
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one

GUE

GUE
Name:	5,10-Methenyltetrahydrofolate
Formula:	C20 H22 N7 O6
SMILES:	NC1=NC(=O)C2=C(NC[CH]3CN(C=[N+]23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)N1
InChi:	InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1/t12-,13+/m1/s1
Definition date:	2018-10-09
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	(2~{S})-2-[[4-[(6~{a}~{R})-3-azanyl-1-oxidanylidene-5,6,6~{a},7-tetrahydro-4~{H}-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl]carbonylamino]pentanedioic acid

JTD

JTD
Name:	N-[(2S,3S,4R)-1-{[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide
Formula:	C54 H105 N O9
SMILES:	C2(OC(CO)C(OCC1CC1)C(C2O)O)OCC(C(C(CCCCCCCCCCCCCC)O)O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C54H105NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-49(58)55-46(50(59)47(57)38-36-34-32-30-28-16-14-12-10-8-6-4-2)44-63-54-52(61)51(60)53(48(42-56)64-54)62-43-45-40-41-45/h45-48,50-54,56-57,59-61H,3-44H2,1-2H3,(H,55,58)/t46-,47+,48+,50-,51+,52+,53-,54-/m0/s1
Definition date:	2018-09-21
Last modified:	2019-01-04
Release date:	2019-01-09
Identifier:	N-[(2S,3S,4R)-1-{[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide

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