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WPN

WPN
Name:	~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
Formula:	C14 H18 Br Cl N2 O3 S
SMILES:	ClCC(=O)NCC1CCN(CC1)[S](=O)(=O)c2ccc(Br)cc2
InChi:	InChI=1S/C14H18BrClN2O3S/c15-12-1-3-13(4-2-12)22(20,21)18-7-5-11(6-8-18)10-17-14(19)9-16/h1-4,11H,5-10H2,(H,17,19)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	~{N}-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide

WPW

WPW
Name:	2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide
Formula:	C14 H17 Cl2 F N2 O3 S
SMILES:	Fc1cc(ccc1Cl)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C14H17Cl2FN2O3S/c15-8-14(20)18-9-10-3-5-19(6-4-10)23(21,22)11-1-2-12(16)13(17)7-11/h1-2,7,10H,3-6,8-9H2,(H,18,20)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	2-chloranyl-~{N}-[[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]ethanamide

WQ0

WQ0
Name:	~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
Formula:	C14 H17 Br Cl F N2 O3 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C14H17BrClFN2O3S/c15-12-2-1-11(7-13(12)17)23(21,22)19-5-3-10(4-6-19)9-18-14(20)8-16/h1-2,7,10H,3-6,8-9H2,(H,18,20)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	~{N}-[[1-(4-bromanyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide

WQ5

WQ5
Name:	2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide
Formula:	C15 H17 Cl F4 N2 O3 S
SMILES:	Fc1cc(ccc1C(F)(F)F)[S](=O)(=O)N2CCC(CC2)CNC(=O)CCl
InChi:	InChI=1S/C15H17ClF4N2O3S/c16-8-14(23)21-9-10-3-5-22(6-4-10)26(24,25)11-1-2-12(13(17)7-11)15(18,19)20/h1-2,7,10H,3-6,8-9H2,(H,21,23)
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	2-chloranyl-~{N}-[[1-[3-fluoranyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamide

WQE

WQE
Name:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone
Formula:	C15 H17 Br Cl F N2 O3 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCCC3(CN(C3)C(=O)CCl)C2
InChi:	InChI=1S/C15H17BrClFN2O3S/c16-12-3-2-11(6-13(12)18)24(22,23)20-5-1-4-15(10-20)8-19(9-15)14(21)7-17/h2-3,6H,1,4-5,7-10H2
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone

WQX

WQX
Name:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone
Formula:	C14 H15 Br Cl F N2 O4 S
SMILES:	Fc1cc(ccc1Br)[S](=O)(=O)N2CCOC3(CN(C3)C(=O)CCl)C2
InChi:	InChI=1S/C14H15BrClFN2O4S/c15-11-2-1-10(5-12(11)17)24(21,22)19-3-4-23-14(9-19)7-18(8-14)13(20)6-16/h1-2,5H,3-4,6-9H2
Definition date:	2023-10-10
Last modified:	2025-04-18
Release date:	2025-04-23
Identifier:	1-[8-(4-bromanyl-3-fluoranyl-phenyl)sulfonyl-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]-2-chloranyl-ethanone

6NA

6NA
Name:	HEXANOIC ACID
Formula:	C6 H12 O2
SMILES:	O=C(O)CCCCC
InChi:	InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
Definition date:	2006-07-05
Last modified:	2025-04-16
Identifier:	hexanoic acid

AMP

AMP
Name:	ADENOSINE MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Definition date:	1999-07-08
Last modified:	2025-04-15
Identifier:	5'-adenylic acid

GXB

GXB
Name:	Sialylated precision glycomacromolecule
Formula:	C92 H141 N21 O37
SMILES:	CC(=O)NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)NCCN(CCNC(=O)CCC(N)=O)C(=O)c1ccc(Cn2cc(CO[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)nn2)cc1)C(=O)c4ccc(Cn5cc(COC6(CC(O)C(NC(C)=O)C(O6)C(O)C(O)CO)C(O)=O)nn5)cc4
InChi:	InChI=1S/C92H141N21O37/c1-58(116)94-22-32-110(87(135)63-8-4-61(5-9-63)50-112-52-65(106-108-112)56-147-91(89(137)138)48-67(119)81(104-59(2)117)85(149-91)83(133)69(121)54-114)33-24-96-73(125)14-16-75(127)98-26-36-141-42-44-143-38-28-100-77(129)18-20-79(131)102-30-40-145-46-47-146-41-31-103-80(132)21-19-78(130)101-29-39-144-45-43-142-37-27-99-76(128)17-15-74(126)97-25-35-111(34-23-95-72(124)13-12-71(93)123)88(136)64-10-6-62(7-11-64)51-113-53-66(107-109-113)57-148-92(90(139)140)49-68(120)82(105-60(3)118)86(150-92)84(134)70(122)55-115/h4-11,52-53,67-70,81-86,114-115,119-122,133-134H,12-51,54-57H2,1-3H3,(H2,93,123)(H,94,116)(H,95,124)(H,96,125)(H,97,126)(H,98,127)(H,99,128)(H,100,129)(H,101,130)(H,102,131)(H,103,132)(H,104,117)(H,105,118)(H,137,138)(H,139,140)/t67?,68-,69?,70+,81?,82+,83?,84+,85?,86+,91?,92+/m0/s1
Definition date:	2018-10-15
Last modified:	2025-04-14
Release date:	2019-03-27
Identifier:	(2~{S},4~{R},5~{R},6~{R})-5-acetamido-2-[[1-[[4-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[2-[2-[[4-[2-[[4-[[4-[[(2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-carboxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxan-2-yl]oxymethyl]-1,2,3-triazol-1-yl]methyl]phenyl]carbonyl-[2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]ethyl]amino]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethoxy]ethoxy]ethylamino]-4-oxidanylidene-butanoyl]amino]ethyl-(2-acetamidoethyl)carbamoyl]phenyl]methyl]-1,2,3-triazol-4-yl]methoxy]-4-oxidanyl-6-[(1~{S},2~{S})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

RFQ

RFQ
Name:	N-{3-[(1S)-2-(3-{(Z)-[amino(thiophen-2-yl)methylidene]amino}phenoxy)-1-hydroxyethyl]phenyl}thiophene-2-carboximidamide
Formula:	C24 H22 N4 O2 S2
SMILES:	N(c3cc(OCC(O)c2cccc(NC(=[N@H])c1sccc1)c2)ccc3)C(=[N@H])c4sccc4
InChi:	InChI=1S/C24H22N4O2S2/c25-23(21-9-3-11-31-21)27-17-6-1-5-16(13-17)20(29)15-30-19-8-2-7-18(14-19)28-24(26)22-10-4-12-32-22/h1-14,20,29H,15H2,(H2,25,27)(H2,26,28)/t20-/m1/s1
Definition date:	2014-10-24
Last modified:	2025-04-14
Release date:	2015-01-14
Identifier:	N-{3-[(1S)-1-hydroxy-2-(3-{[(Z)-imino(thiophen-2-yl)methyl]amino}phenoxy)ethyl]phenyl}thiophene-2-carboximidamide

A1BUC

A1BUC
Name:	1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Formula:	C56 H68 Cl F2 N15 O7
SMILES:	CNC(=O)COC1=Cc2cc(cc(OC)c2N(C)C1=O)Nc1nc(ncc1Cl)N1CCC(CC1)C(=O)NCCCCC(=O)N1CCC(CC1)n1nc(c2CN(CCc21)C(=O)NC)N1CCCc2cc(c3cn(C)nc3)c(cc21)C(F)F
InChi:	InChI=1S/C56H68ClF2N15O7/c1-60-47(75)32-81-46-25-35-23-37(26-45(80-5)49(35)69(4)54(46)78)65-51-42(57)29-63-55(66-51)71-18-11-33(12-19-71)53(77)62-16-7-6-10-48(76)70-20-13-38(14-21-70)74-43-15-22-72(56(79)61-2)31-41(43)52(67-74)73-17-8-9-34-24-39(36-28-64-68(3)30-36)40(50(58)59)27-44(34)73/h23-30,33,38,50H,6-22,31-32H2,1-5H3,(H,60,75)(H,61,79)(H,62,77)(H,63,65,66)
Definition date:	2025-01-23
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

Y65

Y65
Name:	(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid
Formula:	C21 H30 N8 O15 P2
SMILES:	N[CH](Cc1cn(cn1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O)C(O)=O
InChi:	InChI=1S/C21H30N8O15P2/c22-9(21(34)35)1-8-2-28(6-26-8)19-15(32)13(30)10(42-19)3-40-45(36,37)44-46(38,39)41-4-11-14(31)16(33)20(43-11)29-7-27-12-17(23)24-5-25-18(12)29/h2,5-7,9-11,13-16,19-20,30-33H,1,3-4,22H2,(H,34,35)(H,36,37)(H,38,39)(H2,23,24,25)/t9-,10+,11+,13+,14+,15+,16+,19+,20+/m0/s1
Definition date:	2023-11-21
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	(2~{S})-3-[1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]imidazol-4-yl]-2-azanyl-propanoic acid

YK6

YK6
Name:	diepoxidized farnesyl acetate
Formula:	C17 H28 O4
SMILES:	CC(=O)OCC=C(C)CC[CH]1O[C]1(C)CC[CH]2OC2(C)C
InChi:	InChI=1S/C17H28O4/c1-12(9-11-19-13(2)18)6-7-15-17(5,21-15)10-8-14-16(3,4)20-14/h9,14-15H,6-8,10-11H2,1-5H3/b12-9+/t14-,15+,17+/m1/s1
Synonyms:	[(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate
Definition date:	2023-12-05
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	[(~{E})-5-[(2~{S},3~{S})-3-[2-[(2~{R})-3,3-dimethyloxiran-2-yl]ethyl]-3-methyl-oxiran-2-yl]-3-methyl-pent-2-enyl] ethanoate

A1D7Q

A1D7Q
Name:	20-[[(2~{S})-1-oxidanyl-1,5-bis(oxidanylidene)-5-[2-[2-(2-oxidanylideneethoxy)ethoxy]ethylamino]pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid
Formula:	C31 H56 N2 O10
SMILES:	OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(O)=O)C(O)=O
InChi:	InChI=1S/C31H56N2O10/c34-27(32-21-22-42-23-24-43-25-30(38)39)20-19-26(31(40)41)33-28(35)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-29(36)37/h26H,1-25H2,(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H,40,41)/t26-/m0/s1
Definition date:	2024-04-10
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	20-[[(2~{S})-5-[2-[2-(2-hydroxy-2-oxoethyloxy)ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid

A1EEY

A1EEY
Name:	1-(4-chlorophenyl)sulfonyl-3-propyl-urea
Formula:	C10 H13 Cl N2 O3 S
SMILES:	CCCNC(=O)N[S](=O)(=O)c1ccc(Cl)cc1
InChi:	InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
Synonyms:	Chloropropamide
Definition date:	2024-11-01
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	1-(4-chlorophenyl)sulfonyl-3-propyl-urea

A1EF8

A1EF8
Name:	6-nitro-1~{H}-indole
Formula:	C8 H6 N2 O2
SMILES:	[O-][N+](=O)c1ccc2cc[nH]c2c1
InChi:	InChI=1S/C8H6N2O2/c11-10(12)7-2-1-6-3-4-9-8(6)5-7/h1-5,9H
Definition date:	2024-11-22
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	6-nitro-1~{H}-indole

A1EGB

A1EGB
Name:	5-chloranyl-2~{H}-indazole
Formula:	C7 H5 Cl N2
SMILES:	Clc1ccc2n[nH]cc2c1
InChi:	InChI=1S/C7H5ClN2/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,(H,9,10)
Definition date:	2024-11-22
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	5-chloranyl-2~{H}-indazole

A1EJU

A1EJU
Name:	3-azanyl-4-(7-fluoranyl-2H-indazol-4-yl)-8-methoxy-1H-1,5-naphthyridin-2-one
Formula:	C16 H12 F N5 O2
SMILES:	COc1ccnc2c1NC(=O)C(=C2c3ccc(F)c4n[nH]cc34)N
InChi:	InChI=1S/C16H12FN5O2/c1-24-10-4-5-19-15-11(12(18)16(23)21-14(10)15)7-2-3-9(17)13-8(7)6-20-22-13/h2-6H,18H2,1H3,(H,20,22)(H,21,23)
Definition date:	2025-01-17
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-azanyl-4-(7-fluoranyl-2~{H}-indazol-4-yl)-8-methoxy-1~{H}-1,5-naphthyridin-2-one

A1EJV

A1EJV
Name:	3-azanyl-7-chloranyl-4-(7-fluoranyl-1H-indazol-4-yl)-1H-1,5-naphthyridin-2-one
Formula:	C15 H9 Cl F N5 O
SMILES:	NC1=C(c2ccc(F)c3[nH]ncc23)c4ncc(Cl)cc4NC1=O
InChi:	InChI=1S/C15H9ClFN5O/c16-6-3-10-14(19-4-6)11(12(18)15(23)21-10)7-1-2-9(17)13-8(7)5-20-22-13/h1-5H,18H2,(H,20,22)(H,21,23)
Definition date:	2025-01-17
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	3-azanyl-7-chloranyl-4-(7-fluoranyl-1~{H}-indazol-4-yl)-1~{H}-1,5-naphthyridin-2-one

A1IIU

A1IIU
Name:	(3Z)-7-chloro-10,21-dihydroxy-2,2-dioxo-18-(4-piperidyl)-2-lambda-6,5-dithia-3,12,18-triazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C24 H27 Cl N4 O5 S2
SMILES:	Oc1ccc2cc1C(=O)N(CCCCCN3C(=N[S]2(=O)=O)Sc4c(Cl)ccc(O)c34)C5CCNCC5
InChi:	InChI=1S/C24H27ClN4O5S2/c25-18-5-7-20(31)21-22(18)35-24-27-36(33,34)16-4-6-19(30)17(14-16)23(32)28(15-8-10-26-11-9-15)12-2-1-3-13-29(21)24/h4-7,14-15,26,30-31H,1-3,8-13H2/b27-24-
Synonyms:	19-chloro-6,16-dihydroxy-2,2,8-trioxo-9-(piperidin-4-yl)-1,8,9,10,11,12,13,14-octahydro-2H-3,7-(metheno)-2-lambda-6-[1,2,4,10]thiatriazacyclohexadecino[3,4-b][1,3]benzothiazol-15-ium
Definition date:	2024-07-19
Last modified:	2025-04-11
Release date:	2025-04-16

A1IK7

A1IK7
Name:	N-(7-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-benzenesulfonamide
Formula:	C13 H9 Cl N2 O3 S2
SMILES:	Oc1cccc(c1)[S](=O)(=O)Nc2sc3c(Cl)cccc3n2
InChi:	InChI=1S/C13H9ClN2O3S2/c14-10-5-2-6-11-12(10)20-13(15-11)16-21(18,19)9-4-1-3-8(17)7-9/h1-7,17H,(H,15,16)
Definition date:	2024-08-14
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	~{N}-(7-chloranyl-1,3-benzothiazol-2-yl)-3-oxidanyl-benzenesulfonamide

A1IK9

A1IK9
Name:	5-[(7-chloranyl-3-ethyl-4-oxidanyl-1,3-benzothiazol-2-yl)sulfamoyl]-~{N}-(2-hydroxyethyl)-2-oxidanyl-~{N}-piperidin-4-yl-benzamide
Formula:	C23 H28 Cl N4 O6 S2
SMILES:	CC[n+]1c(N[S](=O)(=O)c2ccc(O)c(c2)C(=O)N(CCO)C3CCNCC3)sc4c(Cl)ccc(O)c14
InChi:	InChI=1S/C23H27ClN4O6S2/c1-2-27-20-19(31)6-4-17(24)21(20)35-23(27)26-36(33,34)15-3-5-18(30)16(13-15)22(32)28(11-12-29)14-7-9-25-10-8-14/h3-6,13-14,25,29H,2,7-12H2,1H3,(H2,30,31,32)/p+1
Definition date:	2024-08-14
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	5-[(7-chloranyl-3-ethyl-4-oxidanyl-1,3-benzothiazol-3-ium-2-yl)sulfamoyl]-~{N}-(2-hydroxyethyl)-2-oxidanyl-~{N}-piperidin-4-yl-benzamide

A1ILA

A1ILA
Name:	11-(4-aminocyclohexyl)-16-chloro-1,15-dihydroxy-10,10-dioxo-10lambda6-thia-2,11lambda6-diaza-1lambda6,15lambda6-diphospha-3-phosphoniapentacyclo[7.5.1.01,15.03,15.013,15]hexadecan-12-one
Formula:	C25 H30 Cl N4 O5 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCC[n+]3c(N[S](=O)(=O)c4ccc(O)c(c4)C2=O)sc5c(Cl)ccc(O)c35
InChi:	InChI=1S/C25H29ClN4O5S2/c26-19-9-11-21(32)22-23(19)36-25-28-37(34,35)17-8-10-20(31)18(14-17)24(33)29(12-2-1-3-13-30(22)25)16-6-4-15(27)5-7-16/h8-11,14-16H,1-7,12-13,27H2,(H2,31,32,33)/p+1/b28-25-/t15-,16+
Definition date:	2024-08-14
Last modified:	2025-04-11
Release date:	2025-04-16

A1ILF

A1ILF
Name:	(3Z)-18-(4-aminocyclohexyl)-21-[4-(4-amino-1-piperidyl)-1-piperidyl]-7-chloro-10-hydroxy-2,2-dioxo-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C34 H47 Cl N8 O4 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CC[CH](CC5)N6CC[CH](N)CC6)c(c4)C2=O)Sc7c(Cl)ccc(O)c37
InChi:	InChI=1S/C34H47ClN8O4S2/c35-28-8-9-29(44)30-31(28)48-34-39-49(46,47)26-20-27(32(38-21-26)41-18-12-24(13-19-41)40-16-10-23(37)11-17-40)33(45)42(14-2-1-3-15-43(30)34)25-6-4-22(36)5-7-25/h8-9,20-25,44H,1-7,10-19,36-37H2/b39-34-/t22-,25+
Definition date:	2024-08-15
Last modified:	2025-04-11
Release date:	2025-04-16

A1IMA

A1IMA
Name:	(3Z)-18-(4-aminocyclohexyl)-7-chloro-10-hydroxy-2,2-dioxo-21-piperazin-1-yl-2-lambda-6,5-dithia-3,12,18,22-tetrazatetracyclo[18.3.1.04,12.06,11]tetracosa-1(23),3,6,8,10,20(24),21-heptaen-19-one
Formula:	C28 H36 Cl N7 O4 S2
SMILES:	N[CH]1CC[CH](CC1)N2CCCCCN3C(=N[S](=O)(=O)c4cnc(N5CCNCC5)c(c4)C2=O)Sc6c(Cl)ccc(O)c36
InChi:	InChI=1S/C28H36ClN7O4S2/c29-22-8-9-23(37)24-25(22)41-28-33-42(39,40)20-16-21(26(32-17-20)34-14-10-31-11-15-34)27(38)35(12-2-1-3-13-36(24)28)19-6-4-18(30)5-7-19/h8-9,16-19,31,37H,1-7,10-15,30H2/b33-28-/t18-,19+
Definition date:	2024-08-20
Last modified:	2025-04-11
Release date:	2025-04-16

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