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97O

97O
Name:	6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole
Formula:	C21 H22 N2 O4
SMILES:	COc1ccc(cc1)c2[nH]nc3CCc4c(OC)c(OC)c(OC)cc4c23
InChi:	InChI=1S/C21H22N2O4/c1-24-13-7-5-12(6-8-13)19-18-15-11-17(25-2)21(27-4)20(26-3)14(15)9-10-16(18)22-23-19/h5-8,11H,9-10H2,1-4H3,(H,22,23)
Definition date:	2018-01-26
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	6,7,8-trimethoxy-1-(4-methoxyphenyl)-4,5-dihydro-2~{H}-benzo[e]indazole

9C0

9C0
Name:	9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide
Formula:	C17 H20 N2 O2 S
SMILES:	CC(C)(C)c1ccc(cc1)C2=CC=CN3CC[S](=O)(=O)N=C23
InChi:	InChI=1S/C17H20N2O2S/c1-17(2,3)14-8-6-13(7-9-14)15-5-4-10-19-11-12-22(20,21)18-16(15)19/h4-10H,11-12H2,1-3H3
Definition date:	2018-03-09
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	9-(4-~{tert}-butylphenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

9C3

9C3
Name:	9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
Formula:	C16 H18 N2 O3 S
SMILES:	c3cc(C1=CC=CN2C1=NS(CC2)(=O)=O)ccc3OC(C)C
InChi:	InChI=1S/C16H18N2O3S/c1-12(2)21-14-7-5-13(6-8-14)15-4-3-9-18-10-11-22(19,20)17-16(15)18/h3-9,12H,10-11H2,1-2H3
Definition date:	2018-03-09
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	9-{4-[(propan-2-yl)oxy]phenyl}-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione

9C6

9C6
Name:	9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione
Formula:	C19 H16 N2 O3 S
SMILES:	N41CCS(=O)(=O)N=C1C(c2ccc(cc2)Oc3ccccc3)=CC=C4
InChi:	InChI=1S/C19H16N2O3S/c22-25(23)14-13-21-12-4-7-18(19(21)20-25)15-8-10-17(11-9-15)24-16-5-2-1-3-6-16/h1-12H,13-14H2
Definition date:	2018-03-09
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	9-(4-phenoxyphenyl)-3,4-dihydro-2H-2lambda~6~-pyrido[2,1-c][1,2,4]thiadiazine-2,2-dione

BKP

BKP
Name:	5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
Formula:	C10 H17 N5 O17 P4
SMILES:	P(O)(=O)(OP(O)(OP(O)(O)=O)=O)OP(OCC1OC(C(C1O)O)n2cnc3C(=O)N=C(N)Nc23)(O)=O
InChi:	InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(29-9)1-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	2017-08-14
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine

BWJ

BWJ
Name:	{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)
Formula:	C7 H9 Cl2 N O6 P2
SMILES:	c1c(Cl)cc(NC(P(O)(O)=O)P(O)(=O)O)cc1Cl
InChi:	InChI=1S/C7H9Cl2NO6P2/c8-4-1-5(9)3-6(2-4)10-7(17(11,12)13)18(14,15)16/h1-3,7,10H,(H2,11,12,13)(H2,14,15,16)
Definition date:	2017-08-30
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)

C8A

C8A
Name:	{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
Formula:	C14 H17 N O6 P2
SMILES:	c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2
InChi:	InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
Definition date:	2017-09-18
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)

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

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

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

FW5

FW5
Name:	(2~{S})-3-methoxypropane-1,2-diol
Formula:	C4 H10 O3
SMILES:	COC[CH](O)CO
InChi:	InChI=1S/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1
Definition date:	2018-08-02
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	(2~{S})-3-methoxypropane-1,2-diol

FX2

FX2
Name:	7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one
Formula:	C22 H18 F3 N3 O3
SMILES:	COc1ccc2C(=O)[CH](C)C(=Nc2c1)c3cnn(Cc4ccc(OC(F)(F)F)cc4)c3
InChi:	InChI=1S/C22H18F3N3O3/c1-13-20(27-19-9-17(30-2)7-8-18(19)21(13)29)15-10-26-28(12-15)11-14-3-5-16(6-4-14)31-22(23,24)25/h3-10,12-13H,11H2,1-2H3/t13-/m0/s1
Definition date:	2018-08-09
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one

GAW

GAW
Name:	2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide
Formula:	C30 H32 F6 N4 O
SMILES:	CN1CCN(CC1)c2cc(c(cn2)N(C)C(=O)C(C)(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)c4ccccc4C
InChi:	InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3
Definition date:	2018-09-11
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide

GBQ

GBQ
Name:	5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one
Formula:	C23 H21 F7 N4 O3
SMILES:	C[CH](O[CH]1OCCN(CC2=NC(=O)NN2)[CH]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20-/m1/s1
Definition date:	2018-09-11
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one

GBW

GBW
Name:	(2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C50 H64 N8 O9 S
SMILES:	COc1cc(cc(OC)c1CN2CCN(CCOCCOCC(=O)NC(C(=O)N3CC(O)CC3C(=O)NCc4ccc(cc4)c5scnc5C)C(C)(C)C)CC2)C6=CN(C)C(=O)c7cnccc67
InChi:	InChI=1S/C50H64N8O9S/c1-32-45(68-31-53-32)34-10-8-33(9-11-34)25-52-47(61)41-24-36(59)27-58(41)49(63)46(50(2,3)4)54-44(60)30-67-21-20-66-19-18-56-14-16-57(17-15-56)29-40-42(64-6)22-35(23-43(40)65-7)39-28-55(5)48(62)38-26-51-13-12-37(38)39/h8-13,22-23,26,28,31,36,41,46,59H,14-21,24-25,27,29-30H2,1-7H3,(H,52,61)(H,54,60)
Definition date:	2018-09-11
Last modified:	2019-01-11
Release date:	2019-01-16
Identifier:	(2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide

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