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IED

IED
Name:	5,5-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
Formula:	C20 H17 F3 N4 O2 S
SMILES:	CC1(C)N(Cc2ccnc3[nH]ccc23)C(=O)N(C1=O)c4ccc(SC(F)(F)F)cc4
InChi:	InChI=1S/C20H17F3N4O2S/c1-19(2)17(28)27(13-3-5-14(6-4-13)30-20(21,22)23)18(29)26(19)11-12-7-9-24-16-15(12)8-10-25-16/h3-10H,11H2,1-2H3,(H,24,25)
Definition date:	2023-07-28
Last modified:	2023-09-15
Release date:	2023-09-20
Identifier:	5,5-dimethyl-1-(1~{H}-pyrrolo[2,3-b]pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione

IVB

IVB
Name:	nalfurafine
Formula:	C28 H32 N2 O5
SMILES:	CN([CH]1CC[C]2(O)[CH]3Cc4ccc(O)c5O[CH]1[C]2(CCN3CC6CC6)c45)C(=O)C=Cc7cocc7
InChi:	InChI=1S/C28H32N2O5/c1-29(23(32)7-4-18-9-13-34-16-18)20-8-10-28(33)22-14-19-5-6-21(31)25-24(19)27(28,26(20)35-25)11-12-30(22)15-17-2-3-17/h4-7,9,13,16-17,20,22,26,31,33H,2-3,8,10-12,14-15H2,1H3/b7-4+/t20-,22-,26+,27+,28-/m1/s1
Synonyms:	~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-propanamide
Definition date:	2022-07-19
Last modified:	2023-09-15
Release date:	2023-04-12
Identifier:	(~{E})-~{N}-[(4~{R},4~{a}~{S},7~{R},7~{a}~{R},12~{b}~{S})-3-(cyclopropylmethyl)-4~{a},9-bis(oxidanyl)-1,2,4,5,6,7,7~{a},13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-~{N}-methyl-prop-2-enamide

A0X

A0X
Name:	4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Formula:	C35 H32 F3 N7 O3
SMILES:	Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C(F)(F)F
InChi:	InChI=1S/C35H32F3N7O3/c1-22-20-44(21-41-22)28-16-25(35(36,37)38)15-26(17-28)42-33(46)30-18-29-14-24(23(30)2)8-9-27-19-40-32-11-10-31(43-45(27)32)34(47)39-12-6-4-3-5-7-13-48-29/h10-11,14-21H,3-7,12-13H2,1-2H3,(H,39,47)(H,42,46)
Definition date:	2023-05-10
Last modified:	2023-09-15
Release date:	2023-09-20

A4U

A4U
Name:	N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Formula:	C39 H45 N7 O3
SMILES:	CN1CCN(CC1)Cc2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C7CC7
InChi:	InChI=1S/C39H45N7O3/c1-27-30-10-11-33-25-41-37-13-12-36(43-46(33)37)39(48)40-14-6-4-3-5-7-19-49-34(23-30)24-35(27)38(47)42-32-21-28(20-31(22-32)29-8-9-29)26-45-17-15-44(2)16-18-45/h12-13,20-25,29H,3-9,14-19,26H2,1-2H3,(H,40,48)(H,42,47)
Definition date:	2023-05-10
Last modified:	2023-09-15
Release date:	2023-09-20

A6X

A6X
Name:	4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide
Formula:	C34 H31 F3 N8 O3
SMILES:	Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCNC(=O)CCNC5=Nn6c(C=C5)ncc6C#Cc(c4)c3C)cc(c2)C(F)(F)F
InChi:	InChI=1S/C34H31F3N8O3/c1-21-19-44(20-41-21)27-15-24(34(35,36)37)14-25(16-27)42-33(47)29-17-28-13-23(22(29)2)5-6-26-18-40-31-8-7-30(43-45(26)31)38-11-9-32(46)39-10-3-4-12-48-28/h7-8,13-20H,3-4,9-12H2,1-2H3,(H,38,43)(H,39,46)(H,42,47)
Definition date:	2023-05-10
Last modified:	2023-09-15
Release date:	2023-09-20

362

362
Name:	2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
Formula:	C14 H10 N6
SMILES:	n2c4c(c1cccnc1)cnc4ncc2c3cnnc3
InChi:	InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
Definition date:	2014-06-25
Last modified:	2023-09-14
Release date:	2015-09-23
Identifier:	2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine

QVO

QVO
Name:	2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide
Formula:	C22 H14 Cl N7 O3
SMILES:	Clc1cccc(c1)C2=CC(=O)N(CC(=O)Nc3ccc(cc3)c4[nH]nnn4)C5=C2C(=O)N=C5
InChi:	InChI=1S/C22H14ClN7O3/c23-14-3-1-2-13(8-14)16-9-19(32)30(17-10-24-22(33)20(16)17)11-18(31)25-15-6-4-12(5-7-15)21-26-28-29-27-21/h1-10H,11H2,(H,25,31)(H,26,27,28,29)
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide

UZF

UZF
Name:	1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone
Formula:	C16 H15 N O S
SMILES:	SCC(=O)N1c2ccccc2CCc3ccccc13
InChi:	InChI=1S/C16H15NOS/c18-16(11-19)17-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)17/h1-8,19H,9-11H2
Definition date:	2023-06-30
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone

WIV

WIV
Name:	6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C21 H22 N6 O
SMILES:	CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4nn(C)cc4c3)C5CC5
InChi:	InChI=1S/C21H22N6O/c1-12(2)27-20-17(10-22-27)16(9-19(24-20)13-4-5-13)21(28)23-15-6-7-18-14(8-15)11-26(3)25-18/h6-13H,4-5H2,1-3H3,(H,23,28)
Definition date:	2023-05-15
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	6-cyclopropyl-~{N}-(2-methylindazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

WJL

WJL
Name:	6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:	C20 H20 N6 O
SMILES:	CC(C)n1ncc2c1nc(cc2C(=O)Nc3ccc4[nH]ncc4c3)C5CC5
InChi:	InChI=1S/C20H20N6O/c1-11(2)26-19-16(10-22-26)15(8-18(24-19)12-3-4-12)20(27)23-14-5-6-17-13(7-14)9-21-25-17/h5-12H,3-4H2,1-2H3,(H,21,25)(H,23,27)
Definition date:	2023-05-16
Last modified:	2023-08-25
Release date:	2023-08-30
Identifier:	6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide

I8E

I8E
Name:	Tetrahydrocannabivarin
Formula:	C19 H26 O2
SMILES:	CCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1
InChi:	InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h9-11,14-15,20H,5-8H2,1-4H3/t14-,15-/m1/s1
Synonyms:	(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
Definition date:	2023-05-04
Last modified:	2023-08-18
Release date:	2023-08-23
Identifier:	(6aR,10aR)-6,6,9-trimethyl-3-propyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol

USF

USF
Name:	2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one
Formula:	C27 H29 F N8 O2
SMILES:	CC(C)N1CCc2cc(Nc3cc4cc(c(F)c(N)c4cn3)c5cnc6OCCNc6c5C)nn2CC1=O
InChi:	InChI=1S/C27H29FN8O2/c1-14(2)35-6-4-17-10-22(34-36(17)13-23(35)37)33-21-9-16-8-18(24(28)25(29)20(16)12-31-21)19-11-32-27-26(15(19)3)30-5-7-38-27/h8-12,14,30H,4-7,13,29H2,1-3H3,(H,31,33,34)
Synonyms:	2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
Definition date:	2023-02-10
Last modified:	2023-08-11
Release date:	2023-08-16
Identifier:	2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one

ZJ5

ZJ5
Name:	~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide
Formula:	C9 H13 B N O5 S
SMILES:	C[S](=O)(=O)NC[CH]1O[B](O)(O)c2ccccc12
InChi:	InChI=1S/C9H13BNO5S/c1-17(14,15)11-6-9-7-4-2-3-5-8(7)10(12,13)16-9/h2-5,9,11-13H,6H2,1H3/t9-/m0/s1
Definition date:	2023-06-26
Last modified:	2023-08-11
Release date:	2023-08-16
Identifier:	~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide

YHG

YHG
Name:	(3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide
Formula:	C29 H40 N8 O2
SMILES:	Cn1ncc2c(cc(C)nc12)N3CCc4n(CC56CCC(CC5)(CC6)NC(=O)[CH]7COCCN7)nc(C)c4C3
InChi:	InChI=1S/C29H40N8O2/c1-19-14-25(21-15-31-35(3)26(21)32-19)36-12-4-24-22(16-36)20(2)34-37(24)18-28-5-8-29(9-6-28,10-7-28)33-27(38)23-17-39-13-11-30-23/h14-15,23,30H,4-13,16-18H2,1-3H3,(H,33,38)/t23-,28-,29+/m0/s1
Definition date:	2023-06-16
Last modified:	2023-08-11
Release date:	2023-08-16
Identifier:	(3~{S})-~{N}-[4-[[5-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-3-methyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-1-yl]methyl]-1-bicyclo[2.2.2]octanyl]morpholine-3-carboxamide

LS9

LS9
Name:	pyridin-3-ylboronic acid
Formula:	C5 H6 B N O2
SMILES:	OB(O)c1cccnc1
InChi:	InChI=1S/C5H6BNO2/c8-6(9)5-2-1-3-7-4-5/h1-4,8-9H
Definition date:	2022-07-11
Last modified:	2023-08-11
Release date:	2023-08-16
Identifier:	pyridin-3-ylboronic acid

K06

K06
Name:	6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one
Formula:	C27 H29 N3 O3
SMILES:	CCCN1C(=O)COc2nc(c3ccc(cc3)[C]4(N)C[C](C)(O)C4)c(cc12)c5ccccc5
InChi:	InChI=1S/C27H29N3O3/c1-3-13-30-22-14-21(18-7-5-4-6-8-18)24(29-25(22)33-15-23(30)31)19-9-11-20(12-10-19)27(28)16-26(2,32)17-27/h4-12,14,32H,3,13,15-17,28H2,1-2H3/t26-,27-
Definition date:	2023-08-10
Last modified:	2023-08-11
Release date:	2023-08-16
Identifier:	6-[4-(1-azanyl-3-methyl-3-oxidanyl-cyclobutyl)phenyl]-7-phenyl-1-propyl-pyrido[2,3-b][1,4]oxazin-2-one

WX8

WX8
Name:	3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide
Formula:	C36 H39 N11 O8
SMILES:	CCc1nc(C)oc1C(=O)Nc1nc2cc(cnc2n1CC=CCn1c2c(OCCCO)cc(cc2nc1NC(=O)c1oc(C)nc1CC)C(N)=O)C(N)=O
InChi:	InChI=1S/C36H39N11O8/c1-5-22-28(54-18(3)40-22)33(51)44-35-42-24-14-20(30(37)49)16-26(53-13-9-12-48)27(24)46(35)10-7-8-11-47-32-25(15-21(17-39-32)31(38)50)43-36(47)45-34(52)29-23(6-2)41-19(4)55-29/h7-8,14-17,48H,5-6,9-13H2,1-4H3,(H2,37,49)(H2,38,50)(H,42,44,51)(H,43,45,52)/b8-7+
Definition date:	2023-05-21
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	3-[(2E)-4-{5-carbamoyl-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-7-(3-hydroxypropoxy)-1H-benzimidazol-1-yl}but-2-en-1-yl]-2-[(4-ethyl-2-methyl-1,3-oxazole-5-carbonyl)amino]-3H-imidazo[4,5-b]pyridine-6-carboxamide

ZVB

ZVB
Name:	2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
Formula:	C10 H12 N2
SMILES:	CC(C)c1cc2ncccc2[NH]1
InChi:	InChI=1S/C10H12N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-7,12H,1-2H3
Definition date:	2023-07-05
Last modified:	2023-07-21
Release date:	2023-07-26
Identifier:	2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine

ZTV

ZTV
Name:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine
Formula:	C21 H26 N6 O2
SMILES:	CC1COCCN1c1cc(nc2nc([NH]c21)c1ccccn1)N1CCOCC1C
InChi:	InChI=1S/C21H26N6O2/c1-14-12-28-9-7-26(14)17-11-18(27-8-10-29-13-15(27)2)23-21-19(17)24-20(25-21)16-5-3-4-6-22-16/h3-6,11,14-15H,7-10,12-13H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1
Definition date:	2023-04-03
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine

ZUO

ZUO
Name:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine
Formula:	C19 H25 N7 O2
SMILES:	CC1COCCN1c1cc(nc2[NH]c(nc21)c1cc[NH]n1)N1CCOCC1C
InChi:	InChI=1S/C19H25N7O2/c1-12-10-27-7-5-25(12)15-9-16(26-6-8-28-11-13(26)2)21-19-17(15)22-18(23-19)14-3-4-20-24-14/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,20,24)(H,21,22,23)/t12-,13+/m1/s1
Definition date:	2023-04-04
Last modified:	2023-07-14
Release date:	2023-07-19
Identifier:	(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine

YXU

YXU
Name:	5-methoxy-1H-pyrrolo[3,2-b]pyridine
Formula:	C8 H8 N2 O
SMILES:	COc1ccc2[NH]ccc2n1
InChi:	InChI=1S/C8H8N2O/c1-11-8-3-2-6-7(10-8)4-5-9-6/h2-5,9H,1H3
Definition date:	2023-06-22
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	5-methoxy-1H-pyrrolo[3,2-b]pyridine

WYH

WYH
Name:	2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
Formula:	C11 H12 N2
SMILES:	C1Cc2c(CN1)[nH]c3ccccc23
InChi:	InChI=1S/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H2
Definition date:	2022-07-05
Last modified:	2023-07-07
Release date:	2023-07-12
Identifier:	2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

XER

XER
Name:	3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid
Formula:	C7 H2 Cl F O2 S2
SMILES:	Fc1cc2sc(c(Cl)c2s1)C(=O)O
InChi:	InChI=1S/C7H2ClFO2S2/c8-4-5-2(1-3(9)13-5)12-6(4)7(10)11/h1H,(H,10,11)
Definition date:	2022-11-14
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	3-chloro-5-fluorothieno[3,2-b]thiophene-2-carboxylic acid

LBJ

LBJ
Name:	6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Formula:	C12 H14 N2 O
SMILES:	COc1ccc2[nH]c3CNCCc3c2c1
InChi:	InChI=1S/C12H14N2O/c1-15-8-2-3-11-10(6-8)9-4-5-13-7-12(9)14-11/h2-3,6,13-14H,4-5,7H2,1H3
Definition date:	2022-06-29
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	6-methoxy-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole

F9C

F9C
Name:	1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
Formula:	C15 H19 Br N4 O2
SMILES:	Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc12
InChi:	InChI=1S/C15H19BrN4O2/c1-9-11(16)6-18-15-14(9)19-8-20(15)7-10(21)5-12-13(22)3-2-4-17-12/h6,8,12-13,17,22H,2-5,7H2,1H3/t12-,13+/m1/s1
Definition date:	2020-04-20
Last modified:	2023-06-30
Release date:	2023-07-05
Identifier:	1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2~{R},3~{S})-3-oxidanylpiperidin-2-yl]propan-2-one

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