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UCQ

UCQ
Name:	(2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid
Formula:	C9 H15 N3 O2
SMILES:	CN(C)[CH](Cc1cncn1C)C(O)=O
InChi:	InChI=1S/C9H15N3O2/c1-11(2)8(9(13)14)4-7-5-10-6-12(7)3/h5-6,8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1
Definition date:	2023-09-04
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	(2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid

UHO

UHO
Name:	2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid
Formula:	C23 H25 N3 O6 S2
SMILES:	N[S](=O)(=O)c1ccc(CCN(Cc2cccc(NCC(O)=O)c2)[S](=O)(=O)c3ccccc3)cc1
InChi:	InChI=1S/C23H25N3O6S2/c24-33(29,30)21-11-9-18(10-12-21)13-14-26(34(31,32)22-7-2-1-3-8-22)17-19-5-4-6-20(15-19)25-16-23(27)28/h1-12,15,25H,13-14,16-17H2,(H,27,28)(H2,24,29,30)
Definition date:	2023-09-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid

UIE

UIE
Name:	2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid
Formula:	C22 H23 N3 O6 S2
SMILES:	N[S](=O)(=O)c1ccc(CN(Cc2cccc(NCC(O)=O)c2)[S](=O)(=O)c3ccccc3)cc1
InChi:	InChI=1S/C22H23N3O6S2/c23-32(28,29)20-11-9-17(10-12-20)15-25(33(30,31)21-7-2-1-3-8-21)16-18-5-4-6-19(13-18)24-14-22(26)27/h1-13,24H,14-16H2,(H,26,27)(H2,23,28,29)
Definition date:	2023-09-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid

UII

UII
Name:	2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid
Formula:	C17 H21 N3 O6 S2
SMILES:	C[S](=O)(=O)N(Cc1ccc(cc1)[S](N)(=O)=O)Cc2cccc(NCC(O)=O)c2
InChi:	InChI=1S/C17H21N3O6S2/c1-27(23,24)20(11-13-5-7-16(8-6-13)28(18,25)26)12-14-3-2-4-15(9-14)19-10-17(21)22/h2-9,19H,10-12H2,1H3,(H,21,22)(H2,18,25,26)
Definition date:	2023-09-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid

UKO

UKO
Name:	~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide
Formula:	C14 H18 N4 O3 S2
SMILES:	NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[CH]3CCCS3
InChi:	InChI=1S/C14H18N4O3S2/c15-13-10(3-1-7-16-23(20,21)11-5-6-11)9-18(14(19)17-13)12-4-2-8-22-12/h9,11-12,16H,2,4-8H2,(H2,15,17,19)/t12-/m1/s1
Definition date:	2023-09-06
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide

V2I

V2I
Name:	ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate
Formula:	C14 H17 N3 O5 S
SMILES:	CCOC(=O)C1=C(C)NC(=O)N[CH]1c2ccc(cc2)[S](N)(=O)=O
InChi:	InChI=1S/C14H17N3O5S/c1-3-22-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(7-5-9)23(15,20)21/h4-7,12H,3H2,1-2H3,(H2,15,20,21)(H2,16,17,19)/t12-/m0/s1
Definition date:	2023-09-07
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate

W2H

W2H
Name:	(2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide
Formula:	C19 H19 N5 O3 S
SMILES:	Nc1ncnc2cc(ccc12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4
InChi:	InChI=1S/C19H19N5O3S/c20-18-15-7-6-13(10-17(15)22-11-23-18)12-3-1-4-14(9-12)28(26,27)24-19(25)16-5-2-8-21-16/h1,3-4,6-7,9-11,16,21H,2,5,8H2,(H,24,25)(H2,20,22,23)/t16-/m1/s1
Definition date:	2023-09-14
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	(2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide

W3T

W3T
Name:	[2-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-oxidanylidene-ethyl] (3~{S})-3-azanyl-4-oxidanylidene-butanoate
Formula:	C39 H38 F3 N7 O6
SMILES:	N[CH](CC(=O)OCC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7cc(O)cc8ccc(F)c(C#C)c78)C=O
InChi:	InChI=1S/C39H38F3N7O6/c1-2-27-30(41)7-4-21-10-26(51)12-28(33(21)27)35-34(42)36-29(14-44-35)37(46-38(45-36)55-20-39-8-3-9-48(39)15-22(40)13-39)47-16-24-5-6-25(17-47)49(24)31(52)19-54-32(53)11-23(43)18-50/h1,4,7,10,12,14,18,22-25,51H,3,5-6,8-9,11,13,15-17,19-20,43H2/t22-,23+,24-,25+,39+/m1/s1
Definition date:	2023-09-19
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	[2-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-oxidanylidene-ethyl] (3~{S})-3-azanyl-4-oxidanylidene-butanoate

WCQ

WCQ
Name:	(3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one
Formula:	C20 H24 N4 O4
SMILES:	CCc1nc(N)nc(N)c1OCCCOc2ccccc2C=C3CCOC3=O
InChi:	InChI=1S/C20H24N4O4/c1-2-15-17(18(21)24-20(22)23-15)27-10-5-9-26-16-7-4-3-6-13(16)12-14-8-11-28-19(14)25/h3-4,6-7,12H,2,5,8-11H2,1H3,(H4,21,22,23,24)/b14-12+
Definition date:	2023-09-28
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	(3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one

WJI

WJI
Name:	(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide
Formula:	C19 H23 Br N4 O
SMILES:	CC(C)CC1C(C(=O)Nc2nc(Br)c(cc2)c2ncccn2)C1(C)C
InChi:	InChI=1S/C19H23BrN4O/c1-11(2)10-13-15(19(13,3)4)18(25)24-14-7-6-12(16(20)23-14)17-21-8-5-9-22-17/h5-9,11,13,15H,10H2,1-4H3,(H,23,24,25)/t13-,15+/m0/s1
Definition date:	2023-10-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	(1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide

WM8

WM8
Name:	2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide
Formula:	C13 H18 Cl N O2
SMILES:	CC(C)NC(=O)COc1cc(C)c(Cl)c(C)c1
InChi:	InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16)
Definition date:	2023-10-10
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide

WO8

WO8
Name:	(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid
Formula:	C46 H50 Cl N7 O11 S2
SMILES:	O=C1NC(=O)CCC1N1c2ccc(cc2N(C)C1=O)C1CCN(CC1)C(=O)Nc1cccc(c1)CS(=O)(=O)N1CCC(CC1(C)C)Nc1cccc(c1)c1sc(c(OCC(=O)O)c1Cl)C(=O)O
InChi:	InChI=1S/C46H50ClN7O11S2/c1-46(2)23-32(48-31-9-5-7-29(21-31)40-38(47)39(65-24-37(56)57)41(66-40)43(59)60)16-19-53(46)67(63,64)25-26-6-4-8-30(20-26)49-44(61)52-17-14-27(15-18-52)28-10-11-33-35(22-28)51(3)45(62)54(33)34-12-13-36(55)50-42(34)58/h4-11,20-22,27,32,34,48H,12-19,23-25H2,1-3H3,(H,49,61)(H,56,57)(H,59,60)(H,50,55,58)/t32-,34+/m0/s1
Definition date:	2023-10-09
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	(5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid

XF0

XF0
Name:	2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide
Formula:	C12 H16 Br N O2
SMILES:	CCCNC(=O)COc1ccc(Br)c(C)c1
InChi:	InChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-10-4-5-11(13)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15)
Definition date:	2023-10-31
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide

XP3

XP3
Name:	(5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one
Formula:	C16 H26 O3
SMILES:	CCCCCC=CCCC1=C(CO)C(=O)C[CH](O)C1
InChi:	InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-13-10-14(18)11-16(19)15(13)12-17/h6-7,14,17-18H,2-5,8-12H2,1H3
Definition date:	2023-11-07
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	(5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one

Y9W

Y9W
Name:	2-[(~{E})-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-ol
Formula:	C17 H13 N3 O S
SMILES:	CNc1ccc(cn1)C#CC=Cc2sc3cc(O)ccc3n2
InChi:	InChI=1S/C17H13N3OS/c1-18-16-9-6-12(11-19-16)4-2-3-5-17-20-14-8-7-13(21)10-15(14)22-17/h3,5-11,21H,1H3,(H,18,19)/b5-3+
Definition date:	2023-11-28
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	2-[(~{E})-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-ol

YA9

YA9
Name:	4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Formula:	C32 H24 N6 O6 S2
SMILES:	Nc1c(cc(c2ccccc12)[S](O)(=O)=O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S](O)(=O)=O
InChi:	InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/b37-35+,38-36+
Definition date:	2023-11-28
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid

A1H2J

A1H2J
Name:	6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
Formula:	C16 H14 Cl2 N6 O4
SMILES:	CC(C)C1=CC(=NNC1=O)Oc2c(Cl)cc(cc2Cl)N3N=C(N)C(=O)NC3=O
InChi:	InChI=1S/C16H14Cl2N6O4/c1-6(2)8-5-11(21-22-14(8)25)28-12-9(17)3-7(4-10(12)18)24-16(27)20-15(26)13(19)23-24/h3-6H,1-2H3,(H2,19,23)(H,22,25)(H,20,26,27)
Definition date:	2024-01-19
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	6-azanyl-2-[3,5-bis(chloranyl)-4-[(6-oxidanylidene-5-propan-2-yl-1~{H}-pyridazin-3-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione

A1IDA

A1IDA
Name:	5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine
Formula:	C16 H12 N4 S
SMILES:	Cn1ccc(n1)c2ccc3scc(c4ccncc4)c3n2
InChi:	InChI=1S/C16H12N4S/c1-20-9-6-14(19-20)13-2-3-15-16(18-13)12(10-21-15)11-4-7-17-8-5-11/h2-10H,1H3
Definition date:	2024-06-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	5-(1-methylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine

A1IDB

A1IDB
Name:	5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine
Formula:	C16 H12 N4 S
SMILES:	Cn1cc(cn1)c2ccc3scc(c4ccncc4)c3n2
InChi:	InChI=1S/C16H12N4S/c1-20-9-12(8-18-20)14-2-3-15-16(19-14)13(10-21-15)11-4-6-17-7-5-11/h2-10H,1H3
Definition date:	2024-06-05
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	5-(1-methylpyrazol-4-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridine

A1L13

A1L13
Name:	~{N},~{N}-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
Formula:	C16 H16 N2 S
SMILES:	CN(C)c1ccc(cc1)c2sc3cc(C)ccc3n2
InChi:	InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3
Definition date:	2024-05-27
Last modified:	2024-09-06
Release date:	2024-09-11
Identifier:	~{N},~{N}-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

ZRJ

ZRJ
Name:	tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate
Formula:	C14 H21 N O4
SMILES:	COc1cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C
InChi:	InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)12(15)9-6-10(17-4)8-11(7-9)18-5/h6-8,12H,15H2,1-5H3/t12-/m0/s1
Synonyms:	~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
Definition date:	2024-01-22
Last modified:	2024-09-04
Release date:	2024-04-17
Identifier:	~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate

A1H59

A1H59
Name:	~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide
Formula:	C35 H40 N8 O4
SMILES:	CNC(=O)[CH](Cc1ccncc1)NC(=O)C[CH](Cc2c[nH]c3ccccc23)NC(=O)[CH](CC4CCC4)NC(=O)c5ccnc(C=N)c5
InChi:	InChI=1S/C35H40N8O4/c1-37-34(46)30(16-23-9-12-38-13-10-23)42-32(44)19-26(18-25-21-40-29-8-3-2-7-28(25)29)41-35(47)31(15-22-5-4-6-22)43-33(45)24-11-14-39-27(17-24)20-36/h2-3,7-14,17,20-22,26,30-31,36,40H,4-6,15-16,18-19H2,1H3,(H,37,46)(H,41,47)(H,42,44)(H,43,45)/b36-20+/t26-,30-,31+/m1/s1
Definition date:	2024-03-14
Last modified:	2024-09-04
Release date:	2024-09-04
Identifier:	~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide

A1H7L

A1H7L
Name:	(2~{S})-2-[[(3~{R})-3-[[(2~{R})-2-[(2-cyanopyridin-4-yl)carbonylamino]hexanoyl]amino]-4-(1~{H}-indol-3-yl)butanoyl]amino]-3-pyridin-4-yl-propanoic acid
Formula:	C33 H35 N7 O5
SMILES:	CCCC[CH](NC(=O)c1ccnc(c1)C#N)C(=O)N[CH](CC(=O)N[CH](Cc2ccncc2)C(O)=O)Cc3c[nH]c4ccccc34
InChi:	InChI=1S/C33H35N7O5/c1-2-3-7-28(40-31(42)22-11-14-36-25(16-22)19-34)32(43)38-24(17-23-20-37-27-8-5-4-6-26(23)27)18-30(41)39-29(33(44)45)15-21-9-12-35-13-10-21/h4-6,8-14,16,20,24,28-29,37H,2-3,7,15,17-18H2,1H3,(H,38,43)(H,39,41)(H,40,42)(H,44,45)/t24-,28-,29+/m1/s1
Definition date:	2024-04-03
Last modified:	2024-09-04
Release date:	2024-09-04
Identifier:	(2~{S})-2-[[(3~{R})-3-[[(2~{R})-2-[(2-cyanopyridin-4-yl)carbonylamino]hexanoyl]amino]-4-(1~{H}-indol-3-yl)butanoyl]amino]-3-pyridin-4-yl-propanoic acid

4AI

4AI
Name:	(3S)-N-[(2S)-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Formula:	C33 H44 N6 O4
SMILES:	NC(=N)NCCC[CH](NC(=O)[CH]1Cc2ccccc2CN1C(=O)CCC(=O)c3ccccc3)C(=O)NCC4CCCCC4
InChi:	InChI=1S/C33H44N6O4/c34-33(35)36-19-9-16-27(31(42)37-21-23-10-3-1-4-11-23)38-32(43)28-20-25-14-7-8-15-26(25)22-39(28)30(41)18-17-29(40)24-12-5-2-6-13-24/h2,5-8,12-15,23,27-28H,1,3-4,9-11,16-22H2,(H,37,42)(H,38,43)(H4,34,35,36)/t27-,28-/m0/s1
Synonyms:	PS372424
Definition date:	2023-01-05
Last modified:	2024-09-02
Release date:	2023-11-29
Identifier:	(3~{S})-~{N}-[(2~{S})-5-carbamimidamido-1-(cyclohexylmethylamino)-1-oxidanylidene-pentan-2-yl]-2-(4-oxidanylidene-4-phenyl-butanoyl)-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide

X6R

X6R
Name:	6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine
Formula:	C16 H11 F N4
SMILES:	Nc1c2cc(ncc2ccc1F)n1ccc2ccncc21
InChi:	InChI=1S/C16H11FN4/c17-13-2-1-11-8-20-15(7-12(11)16(13)18)21-6-4-10-3-5-19-9-14(10)21/h1-9H,18H2
Definition date:	2023-10-24
Last modified:	2024-08-30
Release date:	2024-09-04
Identifier:	6-fluoro-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine

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