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374

374
Name:	(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone
Formula:	C22 H24 F2 N2 O4
SMILES:	COc1ccc(c(F)c1)C(=O)N2C[CH](C)N([CH](C)C2)C(=O)c3ccc(OC)cc3F
InChi:	InChI=1S/C22H24F2N2O4/c1-13-11-25(21(27)17-7-5-15(29-3)9-19(17)23)12-14(2)26(13)22(28)18-8-6-16(30-4)10-20(18)24/h5-10,13-14H,11-12H2,1-4H3/t13-,14-/m1/s1
Definition date:	2020-03-06
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	(2-fluoranyl-4-methoxy-phenyl)-[(3~{R},5~{R})-4-(2-fluoranyl-4-methoxy-phenyl)carbonyl-3,5-dimethyl-piperazin-1-yl]methanone

EJC

EJC
Name:	5-propoxy-1H-indole
Formula:	C11 H13 N O
SMILES:	CCCOc1ccc2[nH]ccc2c1
InChi:	InChI=1S/C11H13NO/c1-2-7-13-10-3-4-11-9(8-10)5-6-12-11/h3-6,8,12H,2,7H2,1H3
Definition date:	2020-01-07
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-propoxy-1~{H}-indole

EL9

EL9
Name:	cyclometalated-carbene platinum(II) complex
Formula:	C20 H15 F2 N4 Pt
SMILES:	CN1CN(C=C1)c2ccccn2.Fc3cc(F)c(c([Pt])c3)c4ccccn4
InChi:	InChI=1S/C11H6F2N.C9H10N3.Pt/c12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11
Definition date:	2020-01-10
Last modified:	2021-01-08
Release date:	2021-01-13

EN3

EN3
Name:	(E)-15,22-Dioxa-4,11-diaza-5(2,5)-thiadiazola-10(3,6)-pyridazina-1,14(1,3)-dibenzenacyclodocosaphan-18-ene-3,12-dione
Formula:	C32 H34 N6 O4 S
SMILES:	O=C1Cc2cccc(OCCC=CCCOc3cccc(CC(=O)Nc4ccc(CCCCc5sc(N1)nn5)nn4)c3)c2
InChi:	InChI=1S/C32H34N6O4S/c39-29-21-23-9-7-12-26(19-23)41-17-5-1-2-6-18-42-27-13-8-10-24(20-27)22-30(40)34-32-38-37-31(43-32)14-4-3-11-25-15-16-28(33-29)36-35-25/h1-2,7-10,12-13,15-16,19-20H,3-6,11,14,17-18,21-22H2,(H,33,36,39)(H,34,38,40)/b2-1+
Definition date:	2020-01-16
Last modified:	2021-01-08
Release date:	2021-01-13

EOR

EOR
Name:	2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine
Formula:	C22 H30 N6 O2 S
SMILES:	CN(C)c1cc2OCOc2cc1Sc3nc4c(N)nccc4n3CCNCC(C)(C)C
InChi:	InChI=1S/C22H30N6O2S/c1-22(2,3)12-24-8-9-28-14-6-7-25-20(23)19(14)26-21(28)31-18-11-17-16(29-13-30-17)10-15(18)27(4)5/h6-7,10-11,24H,8-9,12-13H2,1-5H3,(H2,23,25)
Definition date:	2020-01-17
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine

F0L

F0L
Name:	nickel-sirohydrochlorin
Formula:	C42 H44 N4 Ni O16
SMILES:	C[C]1(CC(O)=O)[CH](CCC(O)=O)C2=NC1=Cc3n4[Ni++][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C6CC(O)=O)CCC(O)=O)[CH](CCC(O)=O)[C](C)(CC(O)=O)C5=C2
InChi:	InChI=1S/C42H46N4O16.Ni/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29
Definition date:	2020-03-05
Last modified:	2021-01-08
Release date:	2021-01-13

F0O

F0O
Name:	2-chloranyl-1,3-thiazole-5-carboxylic acid
Formula:	C4 H2 Cl N O2 S
SMILES:	OC(=O)c1sc(Cl)nc1
InChi:	InChI=1S/C4H2ClNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
Definition date:	2020-03-05
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	2-chloranyl-1,3-thiazole-5-carboxylic acid

F0X

F0X
Name:	cobalt-sirohydrochlorin
Formula:	C42 H44 Co N4 O16
SMILES:	C[C]1(CC(O)=O)[CH](CCC(O)=O)C2=NC1=Cc3n4[Co++][N]5C(=CC6=NC(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C6CC(O)=O)CCC(O)=O)[CH](CCC(O)=O)[C](C)(CC(O)=O)C5=C2
InChi:	InChI=1S/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29
Definition date:	2020-03-11
Last modified:	2021-01-08
Release date:	2021-01-13

D7I

D7I
Name:	5,5'-(ethane-1,2-diylbis(oxy))bis(benzene-5,4,2,1,-tetrayl)hexakisphosphate
Formula:	C14 H20 O26 P6
SMILES:	O[P](O)(=O)Oc1cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc1OCCOc2cc(O[P](O)(O)=O)c(O[P](O)(O)=O)cc2O[P](O)(O)=O
InChi:	InChI=1S/C14H20O26P6/c15-41(16,17)35-9-5-13(39-45(27,28)29)11(37-43(21,22)23)3-7(9)33-1-2-34-8-4-12(38-44(24,25)26)14(40-46(30,31)32)6-10(8)36-42(18,19)20/h3-6H,1-2H2,(H2,15,16,17)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)
Definition date:	2019-09-04
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	[2,4-diphosphonooxy-5-[2-(2,4,5-triphosphonooxyphenoxy)ethoxy]phenyl] dihydrogen phosphate

D84

D84
Name:	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one
Formula:	C31 H26 F2 N4 O4
SMILES:	c1(cc(ccc1)N2CCCC2=O)OCc5n(c4cc(C3=CNC(=O)C=C3)ccc4n5)Cc6c(cccc6)OC(F)F
InChi:	InChI=1S/C31H26F2N4O4/c32-31(33)41-27-8-2-1-5-22(27)18-37-26-15-20(21-11-13-29(38)34-17-21)10-12-25(26)35-28(37)19-40-24-7-3-6-23(16-24)36-14-4-9-30(36)39/h1-3,5-8,10-13,15-17,31H,4,9,14,18-19H2,(H,34,38)
Definition date:	2017-10-23
Last modified:	2021-01-08
Release date:	2021-01-13
Identifier:	5-(1-{[2-(difluoromethoxy)phenyl]methyl}-2-{[3-(2-oxopyrrolidin-1-yl)phenoxy]methyl}-1H-benzimidazol-6-yl)pyridin-2(1H)-one

PIH

PIH
Name:	iodobenzene
Formula:	C6 H5 I
SMILES:	Ic1ccccc1
InChi:	InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
Definition date:	2000-07-13
Last modified:	2021-01-05
Identifier:	iodobenzene

BWF

BWF
Name:	(2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
Formula:	C8 H11 N O5
SMILES:	OC(=O)C=C(O)[CH]1CCCN1C(O)=O
InChi:	InChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h4-5,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-/t5-/m0/s1
Definition date:	2019-03-20
Last modified:	2021-01-05
Release date:	2020-12-30
Identifier:	(2~{S})-2-[(~{Z})-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid

BWL

BWL
Name:	(2S)-2-[(Z)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
Formula:	C28 H34 F3 N3 O4
SMILES:	CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O
InChi:	InChI=1S/C28H34F3N3O4/c1-3-32(4-2)16-17-33(26(36)18-25(35)24-6-5-15-34(24)27(37)38)19-20-7-9-21(10-8-20)22-11-13-23(14-12-22)28(29,30)31/h7-14,18,24,35H,3-6,15-17,19H2,1-2H3,(H,37,38)/b25-18-/t24-/m0/s1
Definition date:	2019-03-20
Last modified:	2021-01-05
Release date:	2020-12-30
Identifier:	(2~{S})-2-[(~{Z})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid

BWO

BWO
Name:	(2S)-2-[(E)-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid
Formula:	C30 H35 F6 N3 O5
SMILES:	CCN(CC)CCN(Cc1ccc(cc1)c2ccc(cc2OCC(F)(F)F)C(F)(F)F)C(=O)C=C(O)[CH]3CCCN3C(O)=O
InChi:	InChI=1S/C30H35F6N3O5/c1-3-37(4-2)14-15-38(27(41)17-25(40)24-6-5-13-39(24)28(42)43)18-20-7-9-21(10-8-20)23-12-11-22(30(34,35)36)16-26(23)44-19-29(31,32)33/h7-12,16-17,24,40H,3-6,13-15,18-19H2,1-2H3,(H,42,43)/b25-17+/t24-/m0/s1
Definition date:	2019-03-20
Last modified:	2021-01-05
Release date:	2020-12-30
Identifier:	(2~{S})-2-[(~{E})-3-[2-(diethylamino)ethyl-[[4-[4-(trifluoromethyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]phenyl]methyl]amino]-1-oxidanyl-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid

WZ6

WZ6
Name:	1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
Formula:	C27 H31 F3 N2 O4
SMILES:	CCOCCOc1cc2c(cc1n3c4ccc(cc4nc3C(F)(F)F)C(O)=O)C(C)(C)CCC2(C)C
InChi:	InChI=1S/C27H31F3N2O4/c1-6-35-11-12-36-22-15-18-17(25(2,3)9-10-26(18,4)5)14-21(22)32-20-8-7-16(23(33)34)13-19(20)31-24(32)27(28,29)30/h7-8,13-15H,6,9-12H2,1-5H3,(H,33,34)
Definition date:	2020-06-30
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	1-[3-(2-ethoxyethoxy)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]-2-(trifluoromethyl)benzimidazole-5-carboxylic acid

VLS

VLS
Name:	N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine
Formula:	C6 H13 N O5
SMILES:	C(CNC(CO)(CO)CO)(O)=O
InChi:	InChI=1S/C6H13NO5/c8-2-6(3-9,4-10)7-1-5(11)12/h7-10H,1-4H2,(H,11,12)
Definition date:	2020-08-27
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine

VXY

VXY
Name:	2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Formula:	C20 H25 F3 N8 O4
SMILES:	c1c(cnc(n1)N)c3c(c(nc(N2CCOCC2)n3)NC4(CCN(C(OCC(F)F)=O)C4)CO)F
InChi:	InChI=1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1
Definition date:	2020-09-21
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate

VY1

VY1
Name:	(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide
Formula:	C19 H27 N9 O3 S
SMILES:	c1c(cnc(n1)N)c5c2c(N(CC2)C3CCN(C3)S(NC)(=O)=O)nc(N4CCOCC4)n5
InChi:	InChI=1S/C19H27N9O3S/c1-21-32(29,30)27-4-2-14(12-27)28-5-3-15-16(13-10-22-18(20)23-11-13)24-19(25-17(15)28)26-6-8-31-9-7-26/h10-11,14,21H,2-9,12H2,1H3,(H2,20,22,23)/t14-/m0/s1
Definition date:	2020-09-21
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	(3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylpyrrolidine-1-sulfonamide

VY4

VY4
Name:	tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate
Formula:	C24 H34 N8 O3
SMILES:	c1c(cnc(n1)N)c5c2c(N(CC2)C3(CCN(C(OC(C)(C)C)=O)C3)C)nc(N4CCOCC4)n5
InChi:	InChI=1S/C24H34N8O3/c1-23(2,3)35-22(33)31-8-6-24(4,15-31)32-7-5-17-18(16-13-26-20(25)27-14-16)28-21(29-19(17)32)30-9-11-34-12-10-30/h13-14H,5-12,15H2,1-4H3,(H2,25,26,27)/t24-/m0/s1
Definition date:	2020-09-21
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	tert-butyl (3S)-3-[4-(2-aminopyrimidin-5-yl)-2-(morpholin-4-yl)-5,6-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-methylpyrrolidine-1-carboxylate

VYP

VYP
Name:	2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine
Formula:	C12 H14 N6 O
SMILES:	c2cnc(N1CCOCC1)nc2c3cnc(nc3)N
InChi:	InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)
Definition date:	2020-09-22
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	2-(morpholin-4-yl)[4,5'-bipyrimidin]-2'-amine

IF1

IF1
Name:	(1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid
Formula:	C17 H18 F5 N2 O7 P
SMILES:	C(C2CC(N=[C@H]c1c(c(ncc1COP(=O)(O)O)C)O)C(C2)C(/C(F)(F)F)=C(/F)F)(O)=O
InChi:	InChI=1S/C17H18F5N2O7P/c1-7-14(25)11(9(4-23-7)6-31-32(28,29)30)5-24-12-3-8(16(26)27)2-10(12)13(15(18)19)17(20,21)22/h4-5,8,10,12,25H,2-3,6H2,1H3,(H,26,27)(H2,28,29,30)/b24-5+/t8-,10+,12-/m0/s1
Definition date:	2020-08-27
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	(1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid

EKL

EKL
Name:	6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
Formula:	C28 H30 N2 O4 S
SMILES:	CCn1c2ccc(OC3CCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC
InChi:	InChI=1S/C28H30N2O4S/c1-3-30-26-14-10-20(28(31)29-18-19-8-12-23(13-9-19)35(32,33)4-2)16-24(26)25-17-22(11-15-27(25)30)34-21-6-5-7-21/h8-17,21H,3-7,18H2,1-2H3,(H,29,31)
Definition date:	2020-01-08
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	6-cyclobutyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

ENR

ENR
Name:	9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide
Formula:	C27 H30 N2 O4 S
SMILES:	CCn1c2ccc(OC(C)C)cc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC
InChi:	InChI=1S/C27H30N2O4S/c1-5-29-25-13-9-20(15-23(25)24-16-21(33-18(3)4)10-14-26(24)29)27(30)28-17-19-7-11-22(12-8-19)34(31,32)6-2/h7-16,18H,5-6,17H2,1-4H3,(H,28,30)
Definition date:	2020-01-17
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]-6-propan-2-yloxy-carbazole-3-carboxamide

ENU

ENU
Name:	6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
Formula:	C30 H34 N2 O4 S
SMILES:	CCn1c2ccc(OC3CCCCC3)cc2c4cc(ccc14)C(=O)NCc5ccc(cc5)[S](=O)(=O)CC
InChi:	InChI=1S/C30H34N2O4S/c1-3-32-28-16-12-22(30(33)31-20-21-10-14-25(15-11-21)37(34,35)4-2)18-26(28)27-19-24(13-17-29(27)32)36-23-8-6-5-7-9-23/h10-19,23H,3-9,20H2,1-2H3,(H,31,33)
Definition date:	2020-01-17
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

EO0

EO0
Name:	9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide
Formula:	C24 H24 N2 O3 S
SMILES:	CCn1c2ccccc2c3cc(ccc13)C(=O)NCc4ccc(cc4)[S](=O)(=O)CC
InChi:	InChI=1S/C24H24N2O3S/c1-3-26-22-8-6-5-7-20(22)21-15-18(11-14-23(21)26)24(27)25-16-17-9-12-19(13-10-17)30(28,29)4-2/h5-15H,3-4,16H2,1-2H3,(H,25,27)
Definition date:	2020-01-17
Last modified:	2021-01-01
Release date:	2021-01-06
Identifier:	9-ethyl-~{N}-[(4-ethylsulfonylphenyl)methyl]carbazole-3-carboxamide

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