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VHK

VHK
Name:	2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
Formula:	C17 H14 Cl N5 O
SMILES:	CCNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:	InChI=1S/C17H14ClN5O/c1-2-20-15-8-16(24)23-13-4-3-10(7-11(13)15)22-14-5-6-21-17(18)12(14)9-19/h3-8H,2H2,1H3,(H,21,22)(H2,20,23,24)
Definition date:	2021-05-18
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile

VHN

VHN
Name:	(2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
Formula:	C19 H17 Cl N6 O2
SMILES:	CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:	InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m0/s1
Synonyms:	(2S)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide
Definition date:	2021-05-18
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(2~{S})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide

VHQ

VHQ
Name:	2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile
Formula:	C16 H11 Cl N4 O
SMILES:	CN1C(=O)C=Cc2cc(Nc3ccnc(Cl)c3C#N)ccc12
InChi:	InChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20)
Definition date:	2021-05-18
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile

VHZ

VHZ
Name:	(2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
Formula:	C19 H17 Cl N6 O2
SMILES:	CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12
InChi:	InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m1/s1
Synonyms:	(2R)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide
Definition date:	2021-05-18
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(2~{R})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide

VJ2

VJ2
Name:	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
Formula:	C23 H20 Cl N7 O
SMILES:	CN1C(=O)C=C(NC(C)(C)c2ncccn2)c3cc(Nc4ccnc(Cl)c4C#N)ccc13
InChi:	InChI=1S/C23H20ClN7O/c1-23(2,22-27-8-4-9-28-22)30-18-12-20(32)31(3)19-6-5-14(11-15(18)19)29-17-7-10-26-21(24)16(17)13-25/h4-12,30H,1-3H3,(H,26,29)
Synonyms:	2-Chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile
Definition date:	2021-05-18
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile

VJ5

VJ5
Name:	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
Formula:	C22 H18 Cl N7 O
SMILES:	C[CH](NC1=CC(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c4ncccn4
InChi:	InChI=1S/C22H18ClN7O/c1-13(22-26-7-3-8-27-22)28-18-11-20(31)30(2)19-5-4-14(10-15(18)19)29-17-6-9-25-21(23)16(17)12-24/h3-11,13,28H,1-2H3,(H,25,29)/t13-/m1/s1
Synonyms:	2-Chloro-4-[[1-methyl-2-oxo-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
Definition date:	2021-05-18
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1~{R})-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile

ZD4

ZD4
Name:	2-chloroadenosine 5'-(trihydrogen diphosphate)
Formula:	C10 H14 Cl N5 O10 P2
SMILES:	O=P(O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(O)C1O
InChi:	InChI=1S/C10H14ClN5O10P2/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
Definition date:	2021-04-14
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	2-chloroadenosine 5'-(trihydrogen diphosphate)

VJN

VJN
Name:	8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
Formula:	C14 H13 N O2 S
SMILES:	CC(C)Oc1ccc2C(=O)Nc3sccc3c2c1
InChi:	InChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16)
Definition date:	2021-05-20
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one

JC6

JC6
Name:	Steviolbioside
Formula:	C32 H50 O13
SMILES:	C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)C(O)=O
InChi:	InChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
Definition date:	2021-05-17
Last modified:	2021-12-03
Release date:	2021-12-08

JDF

JDF
Name:	steviol-19-o-glucoside
Formula:	C26 H40 O8
SMILES:	C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](O)(CC[CH]23)C4)C(=O)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O
InChi:	InChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,17(25)6-10-26(14,32)13-25)7-4-8-24(16,3)22(31)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30,32H,1,4-13H2,2-3H3/t15-,16+,17+,18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
Definition date:	2021-05-21
Last modified:	2021-12-03
Release date:	2021-12-08

JDO

JDO
Name:	rebaudioside D
Formula:	C50 H80 O28
SMILES:	C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH]5O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C(=O)O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O
InChi:	InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1
Definition date:	2021-05-21
Last modified:	2021-12-03
Release date:	2021-12-08

0Q6

0Q6
Name:	4-[(3-bromophenyl)methoxy]benzamide
Formula:	C14 H12 Br N O2
SMILES:	NC(=O)c1ccc(OCc2cccc(Br)c2)cc1
InChi:	InChI=1S/C14H12BrNO2/c15-12-3-1-2-10(8-12)9-18-13-6-4-11(5-7-13)14(16)17/h1-8H,9H2,(H2,16,17)
Definition date:	2021-06-09
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	4-[(3-bromophenyl)methoxy]benzamide

0SI

0SI
Name:	8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
Formula:	C18 H13 N O2 S
SMILES:	O=C1Nc2sccc2c3cc(OCc4ccccc4)ccc13
InChi:	InChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20)
Definition date:	2021-06-09
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one

0UI

0UI
Name:	8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
Formula:	C11 H7 N O2 S
SMILES:	Oc1ccc2C(=O)Nc3sccc3c2c1
InChi:	InChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14)
Definition date:	2021-06-09
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one

1O7

1O7
Name:	8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
Formula:	C13 H11 N O2 S
SMILES:	CCOc1ccc2C(=O)Nc3sccc3c2c1
InChi:	InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15)
Definition date:	2021-06-14
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one

1OI

1OI
Name:	8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
Formula:	C12 H9 N O2 S
SMILES:	COc1ccc2C(=O)Nc3sccc3c2c1
InChi:	InChI=1S/C12H9NO2S/c1-15-7-2-3-8-10(6-7)9-4-5-16-12(9)13-11(8)14/h2-6H,1H3,(H,13,14)
Definition date:	2021-06-14
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one

54N

54N
Name:	8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-pyrido[3,4-d]pyridazin-1-one
Formula:	C25 H25 F N6 O2
SMILES:	CN(C)Cc1ccc(c(C)n1)c2cnc(NCc3c(F)ccc4OCCc34)c5C=NNC(=O)c25
InChi:	InChI=1S/C25H25FN6O2/c1-14-16(5-4-15(30-14)13-32(2)3)19-11-28-24(20-12-29-31-25(33)23(19)20)27-10-18-17-8-9-34-22(17)7-6-21(18)26/h4-7,11-12H,8-10,13H2,1-3H3,(H,27,28)(H,31,33)
Definition date:	2021-07-07
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	8-[6-[(dimethylamino)methyl]-2-methyl-pyridin-3-yl]-5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2~{H}-pyrido[3,4-d]pyridazin-1-one

51A

51A
Name:	N-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide
Formula:	C21 H17 F N6 O2
SMILES:	Fc1ccc2OCCc2c1CNc3ncc(NC(=O)c4ccccc4)c5nncn35
InChi:	InChI=1S/C21H17FN6O2/c22-16-6-7-18-14(8-9-30-18)15(16)10-23-21-24-11-17(19-27-25-12-28(19)21)26-20(29)13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,23,24)(H,26,29)
Definition date:	2021-07-07
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	~{N}-[5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]benzamide

52R

52R
Name:	N5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-N8-methyl-N8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine
Formula:	C19 H19 F N8 O
SMILES:	Cn1ccc(n1)N(C)c2cnc(NCc3c(F)ccc4OCCc34)n5cnnc25
InChi:	InChI=1S/C19H19FN8O/c1-26-7-5-17(25-26)27(2)15-10-22-19(28-11-23-24-18(15)28)21-9-13-12-6-8-29-16(12)4-3-14(13)20/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,21,22)
Definition date:	2021-07-07
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	~{N}5-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-~{N}8-methyl-~{N}8-(1-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine-5,8-diamine

PO9

PO9
Name:	[(2R)-2-hexadecanoyloxy-3-[oxidanyl-[(2S)-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (Z)-octadec-9-enoate
Formula:	C40 H78 O13 P2
SMILES:	CCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCCCC)CO[P](O)(=O)OC[CH](O)CO[P](O)(O)=O
InChi:	InChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1
Definition date:	2021-01-07
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	[(2~{R})-2-hexadecanoyloxy-3-[oxidanyl-[(2~{S})-2-oxidanyl-3-phosphonooxy-propoxy]phosphoryl]oxy-propyl] (~{Z})-octadec-9-enoate

QN8

QN8
Name:	(2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
Formula:	C8 H13 N O
SMILES:	C[CH]1N2CCC(CC2)C1=O
InChi:	InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m1/s1
Definition date:	2020-07-08
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(2~{R})-2-methyl-1-azabicyclo[2.2.2]octan-3-one

3IR

3IR
Name:	(1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
Formula:	C13 H12 N2 O S
SMILES:	O=C(Nc1sccn1)[CH]2C[CH]2c3ccccc3
InChi:	InChI=1S/C13H12N2OS/c16-12(15-13-14-6-7-17-13)11-8-10(11)9-4-2-1-3-5-9/h1-7,10-11H,8H2,(H,14,15,16)/t10-,11+/m0/s1
Synonyms:	((1R,2R)-2-Phenyl-N-(1,3-thiazol-2-yl) cyclopropanecarboxamide
Definition date:	2021-06-25
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

QNN

QNN
Name:	(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one
Formula:	C8 H13 N O
SMILES:	C[CH]1N2CCC(CC2)C1=O
InChi:	InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m0/s1
Definition date:	2020-07-08
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	(2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one

QOV

QOV
Name:	5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
Formula:	C14 H13 Cl N4 O3 S
SMILES:	n12cccc(c1nc(n2)C)NS(c3c(OC)ccc(Cl)c3)(=O)=O
InChi:	InChI=1S/C14H13ClN4O3S/c1-9-16-14-11(4-3-7-19(14)17-9)18-23(20,21)13-8-10(15)5-6-12(13)22-2/h3-8,18H,1-2H3
Definition date:	2019-12-05
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	5-chloro-2-methoxy-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide

QOY

QOY
Name:	5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide
Formula:	C13 H11 Cl N4 O3 S
SMILES:	n21cccc(c1ncn2)NS(=O)(c3c(OC)ccc(Cl)c3)=O
InChi:	InChI=1S/C13H11ClN4O3S/c1-21-11-5-4-9(14)7-12(11)22(19,20)17-10-3-2-6-18-13(10)15-8-16-18/h2-8,17H,1H3
Definition date:	2019-12-05
Last modified:	2021-12-03
Release date:	2021-12-08
Identifier:	5-chloro-2-methoxy-N-([1,2,4]triazolo[1,5-a]pyridin-8-yl)benzene-1-sulfonamide

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