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QFK

QFK
Name:	7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
Formula:	C20 H23 N9 O
SMILES:	CNC(=O)c1nc(C)n2ccc(Nc3nccc(n3)n4cc(CN(C)C)cn4)cc12
InChi:	InChI=1S/C20H23N9O/c1-13-24-18(19(30)21-2)16-9-15(6-8-28(13)16)25-20-22-7-5-17(26-20)29-12-14(10-23-29)11-27(3)4/h5-10,12H,11H2,1-4H3,(H,21,30)(H,22,25,26)
Definition date:	2020-06-15
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide

QFQ

QFQ
Name:	~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
Formula:	C23 H28 N10 O
SMILES:	CNC(=O)c1nn(C)c2ccc(Nc3nccc(n3)n4cc(N[CH]5CCCNC5)c(C)n4)cc12
InChi:	InChI=1S/C23H28N10O/c1-14-18(27-16-5-4-9-25-12-16)13-33(30-14)20-8-10-26-23(29-20)28-15-6-7-19-17(11-15)21(22(34)24-2)31-32(19)3/h6-8,10-11,13,16,25,27H,4-5,9,12H2,1-3H3,(H,24,34)(H,26,28,29)/t16-/m1/s1
Definition date:	2020-06-15
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	~{N},1-dimethyl-5-[[4-[3-methyl-4-[[(3~{R})-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide

US8

US8
Name:	2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Formula:	C16 H16 N2 O2 S
SMILES:	CC(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3
InChi:	InChI=1S/C16H16N2O2S/c1-10(19)17-16-13(15(20)18-12-7-8-12)9-14(21-16)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3,(H,17,19)(H,18,20)
Synonyms:	2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
Definition date:	2021-03-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide

USH

USH
Name:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
Formula:	C14 H19 Cl N2 O3
SMILES:	CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl
InChi:	InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
Definition date:	2021-03-12
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide

XKG

XKG
Name:	(2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Formula:	C24 H27 N3 O3
SMILES:	Cc1cc(c(c(c1)C)N=C4/C=C3c2c(cc(c(c2)OC)OC)CCN3C(=O)N4C)C
InChi:	InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3/b25-22+
Synonyms:	Trequinsin
Definition date:	2020-12-17
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(2E)-9,10-dimethoxy-3-methyl-2-[(2,4,6-trimethylphenyl)imino]-2,3,6,7-tetrahydro-4H-pyrimido[6,1-a]isoquinolin-4-one

UFH

UFH
Name:	2-bromanyl-4-imidazol-1-yl-benzaldehyde
Formula:	C10 H7 Br N2 O
SMILES:	Brc1cc(ccc1C=O)n2ccnc2
InChi:	InChI=1S/C10H7BrN2O/c11-10-5-9(2-1-8(10)6-14)13-4-3-12-7-13/h1-7H
Definition date:	2021-02-12
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-bromanyl-4-imidazol-1-yl-benzaldehyde

UG2

UG2
Name:	[4-(2-phenylimidazol-1-yl)phenyl]methanol
Formula:	C16 H14 N2 O
SMILES:	OCc1ccc(cc1)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H14N2O/c19-12-13-6-8-15(9-7-13)18-11-10-17-16(18)14-4-2-1-3-5-14/h1-11,19H,12H2
Definition date:	2021-02-16
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[4-(2-phenylimidazol-1-yl)phenyl]methanol

UG5

UG5
Name:	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
Formula:	C11 H7 F3 N2 O
SMILES:	FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2
InChi:	InChI=1S/C11H7F3N2O/c12-11(13,14)10-5-16(7-15-10)9-3-1-8(6-17)2-4-9/h1-7H
Definition date:	2021-02-16
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde

YP1

YP1
Name:	2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile
Formula:	C24 H25 Cl N2 O2
SMILES:	N#Cc1c(cccc1Cl)OCC(O)CNC(C)(C)Cc1cc2ccccc2cc1
InChi:	InChI=1S/C24H25ClN2O2/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26/h3-12,20,27-28H,13,15-16H2,1-2H3/t20-/m1/s1
Definition date:	2021-03-18
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-chloro-6-[(2R)-2-hydroxy-3-{[2-methyl-1-(naphthalen-2-yl)propan-2-yl]amino}propoxy]benzonitrile

ZB4

ZB4
Name:	N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
Formula:	C23 H31 N3 O3 S
SMILES:	O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c1ccccc1
InChi:	InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3/t20-,21-/m0/s1
Definition date:	2021-04-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide

WU4

WU4
Name:	(6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one
Formula:	C28 H37 N3 O
SMILES:	N2C(=O)C51N(C(CCC1)C)CC24Cc6c3c(c(ccc3)CC=C(/C)C)nc6C(C)(C)C4C5
InChi:	InChI=1S/C28H37N3O/c1-17(2)11-12-19-9-6-10-20-21-14-27-16-31-18(3)8-7-13-28(31,25(32)30-27)15-22(27)26(4,5)24(21)29-23(19)20/h6,9-11,18,22,29H,7-8,12-16H2,1-5H3,(H,30,32)/t18-,22+,27+,28-/m0/s1
Definition date:	2020-11-13
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(6aR,7aS,11S,13aS)-6,6,11-trimethyl-4-(3-methylbut-2-en-1-yl)-6,6a,7,8,9,10,11,14-octahydro-5H,13H-13a,7a-(epiminomethano)quinolizino[2,3-b]carbazol-16-one

V0P

V0P
Name:	7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine
Formula:	C24 H25 N5 O2
SMILES:	c1(nc(ccc1)CNCCOc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N
InChi:	InChI=1S/C24H25N5O2/c25-23-6-1-3-19(28-23)15-27-11-12-30-20-4-2-5-21(14-20)31-16-17-7-8-18-9-10-24(26)29-22(18)13-17/h1-10,13-14,27H,11-12,15-16H2,(H2,25,28)(H2,26,29)
Definition date:	2020-06-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	7-{[3-(2-{[(6-aminopyridin-2-yl)methyl]amino}ethoxy)phenoxy]methyl}quinolin-2-amine

S6B

S6B
Name:	3-chloranyl-4-imidazol-1-yl-benzaldehyde
Formula:	C10 H9 Cl N2 O
SMILES:	OCc1ccc(n2ccnc2)c(Cl)c1
InChi:	InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2
Definition date:	2020-11-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(3-chloranyl-4-imidazol-1-yl-phenyl)methanol

ZGS

ZGS
Name:	[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{Z},12~{Z},15~{Z})-octadeca-9,12,15-trienoate
Formula:	C26 H49 N O7 P
SMILES:	C[N+](C)(C)CCOP(O)(=O)OCC(O)COC(=O)CCCCCCC/C=CC/C=CC/C=CCC
InChi:	InChI=1S/C26H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h6-7,9-10,12-13,25,28H,5,8,11,14-24H2,1-4H3/p+1/b7-6-,10-9-,13-12-/t25-/m1/s1
Synonyms:	LysoPC(18:3(9Z,12Z,15Z))
Definition date:	2021-04-21
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	(4S,7R,18Z,21Z,24Z)-4,7-dihydroxy-N,N,N-trimethyl-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacosa-18,21,24-trien-1-aminium

HJF

HJF
Name:	5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine
Formula:	C19 H22 N4 O3
SMILES:	COc1cc(ccn1)c2cnn3cc(OC)c(nc23)[CH]4COC(C)(C)C4
InChi:	InChI=1S/C19H22N4O3/c1-19(2)8-13(11-26-19)17-15(24-3)10-23-18(22-17)14(9-21-23)12-5-6-20-16(7-12)25-4/h5-7,9-10,13H,8,11H2,1-4H3/t13-/m1/s1
Definition date:	2021-01-14
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	5-[(3~{S})-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxypyridin-4-yl)pyrazolo[1,5-a]pyrimidine

WZG

WZG
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)
Formula:	C22 H38 N7 O16 P3 S
SMILES:	n2cnc1n(cnc1c2N)C3C(C(C(O3)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(NCCSC)=O)OP(O)(=O)O)O
InChi:	InChI=1S/C22H38N7O16P3S/c1-22(2,17(32)20(33)25-5-4-13(30)24-6-7-49-3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1
Definition date:	2020-11-19
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)

UPK

UPK
Name:	2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
Formula:	C16 H12 N2 O2
SMILES:	Oc1cc(ccc1C=O)n2ccnc2c3ccccc3
InChi:	InChI=1S/C16H12N2O2/c19-11-13-6-7-14(10-15(13)20)18-9-8-17-16(18)12-4-2-1-3-5-12/h1-11,20H
Definition date:	2021-03-04
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	2-oxidanyl-4-(2-phenylimidazol-1-yl)benzaldehyde

UPQ

UPQ
Name:	4-(4-methylimidazol-1-yl)benzaldehyde
Formula:	C11 H10 N2 O
SMILES:	Cc1cn(cn1)c2ccc(C=O)cc2
InChi:	InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3
Definition date:	2021-03-04
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	4-(4-methylimidazol-1-yl)benzaldehyde

YXD

YXD
Name:	N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
Formula:	C23 H25 F3 N6 O2
SMILES:	Cn1cc(cn1)c1nc(ccc1)C(=O)Nc1cc(cnc1C(F)(F)F)N1CCC(C1)C(C)(C)O
InChi:	InChI=1S/C23H25F3N6O2/c1-22(2,34)15-7-8-32(13-15)16-9-19(20(27-11-16)23(24,25)26)30-21(33)18-6-4-5-17(29-18)14-10-28-31(3)12-14/h4-6,9-12,15,34H,7-8,13H2,1-3H3,(H,30,33)/t15-/m0/s1
Definition date:	2021-04-05
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide

UQN

UQN
Name:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
Formula:	C16 H12 Br2 N2
SMILES:	Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br
InChi:	InChI=1S/C16H12Br2N2/c1-11-6-7-12(10-15(11)18)20-9-8-19-16(20)13-4-2-3-5-14(13)17/h2-10H,1H3
Definition date:	2021-03-09
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole

UQW

UQW
Name:	[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
Formula:	C17 H20 N2 O3
SMILES:	CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12
InChi:	InChI=1S/C17H20N2O3/c1-3-15(22-16(20)4-2)17(21)18-10-9-12-11-19-14-8-6-5-7-13(12)14/h4-8,11,15,19H,2-3,9-10H2,1H3,(H,18,21)/t15-/m1/s1
Synonyms:	[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
Definition date:	2021-03-09
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate

UQZ

UQZ
Name:	~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide
Formula:	C22 H24 N2 O5
SMILES:	CCCN([CH](C(=O)NCc1ccc2OCOc2c1)c3cccc(O)c3)C(=O)C=C
InChi:	InChI=1S/C22H24N2O5/c1-3-10-24(20(26)4-2)21(16-6-5-7-17(25)12-16)22(27)23-13-15-8-9-18-19(11-15)29-14-28-18/h4-9,11-12,21,25H,2-3,10,13-14H2,1H3,(H,23,27)/t21-/m0/s1
Definition date:	2021-03-09
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide

V5Z

V5Z
Name:	DMHBO+
Formula:	C22 H25 N4 O5
SMILES:	COc1cc(cc(OC)c1O)C=C2N=C(C=NO)N(C2=O)c3ccc(cc3)[N+](C)(C)C
InChi:	InChI=1S/C22H24N4O5/c1-26(2,3)16-8-6-15(7-9-16)25-20(13-23-29)24-17(22(25)28)10-14-11-18(30-4)21(27)19(12-14)31-5/h6-13H,1-5H3,(H-,23,24,27,28,29)/p+1
Synonyms:	[4-[(4Z)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(Z)-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium
Definition date:	2021-04-19
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-[(~{Z})-hydroxyiminomethyl]-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium

URK

URK
Name:	[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
Formula:	C20 H20 N2 O7
SMILES:	COc1cccc(CNC(=O)[CH](OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC
InChi:	InChI=1S/C20H20N2O7/c1-4-17(23)29-19(13-8-10-15(11-9-13)22(25)26)20(24)21-12-14-6-5-7-16(27-2)18(14)28-3/h4-11,19H,1,12H2,2-3H3,(H,21,24)/t19-/m0/s1
Synonyms:	[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate
Definition date:	2021-03-10
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate

V6T

V6T
Name:	DMHBI+
Formula:	C22 H26 N3 O4
SMILES:	COc1cc(cc(OC)c1O)C=C2N=C(C)N(C2=O)c3ccc(cc3)[N+](C)(C)C
InChi:	InChI=1S/C22H25N3O4/c1-14-23-18(11-15-12-19(28-5)21(26)20(13-15)29-6)22(27)24(14)16-7-9-17(10-8-16)25(2,3)4/h7-13H,1-6H3/p+1
Synonyms:	5-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-2-methyl-3-[4-(trimethyl-$l^{4}-azanyl)phenyl]-2~{H}-imidazol-4-one
Definition date:	2021-04-20
Last modified:	2021-06-11
Release date:	2021-06-16
Identifier:	[4-[(4~{Z})-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methylidene]-2-methyl-5-oxidanylidene-imidazol-1-yl]phenyl]-trimethyl-azanium

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