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ZWA

ZWA
Name:	N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide
Formula:	C29 H27 F6 N3 O2
SMILES:	FC(F)(F)c1ccc(cc1)c1ccccc1C(=O)NC(c1cccc(c1)N1CC(C1)CC(F)(F)F)C(=O)N(C)C
InChi:	InChI=1S/C29H27F6N3O2/c1-37(2)27(40)25(20-6-5-7-22(14-20)38-16-18(17-38)15-28(30,31)32)36-26(39)24-9-4-3-8-23(24)19-10-12-21(13-11-19)29(33,34)35/h3-14,18,25H,15-17H2,1-2H3,(H,36,39)/t25-/m0/s1
Definition date:	2023-04-10
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide

NFI

NFI
Name:	3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid
Formula:	C20 H17 N O5
SMILES:	Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc12)C(O)=O
InChi:	InChI=1S/C20H17NO5/c1-12-15-11-14(7-9-17(15)26-19(12)20(24)25)21-18(23)10-8-16(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,21,23)(H,24,25)
Definition date:	2023-01-14
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid

V4I

V4I
Name:	3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid
Formula:	C19 H19 N7 O3 S
SMILES:	OC(=O)c1cccc(CC(=O)Nc2sc(N[CH]3CCN(C3)c4cccnn4)nn2)c1
InChi:	InChI=1S/C19H19N7O3S/c27-16(10-12-3-1-4-13(9-12)17(28)29)22-19-25-24-18(30-19)21-14-6-8-26(11-14)15-5-2-7-20-23-15/h1-5,7,9,14H,6,8,10-11H2,(H,21,24)(H,28,29)(H,22,25,27)/t14-/m1/s1
Definition date:	2023-07-05
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	3-[2-oxidanylidene-2-[[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid

V59

V59
Name:	2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
Formula:	C24 H23 N7 O2 S
SMILES:	O=C(Cc1cccc(Oc2ccccc2)c1)Nc3sc(N[CH]4CCN(C4)c5cccnn5)nn3
InChi:	InChI=1S/C24H23N7O2S/c32-22(15-17-6-4-9-20(14-17)33-19-7-2-1-3-8-19)27-24-30-29-23(34-24)26-18-11-13-31(16-18)21-10-5-12-25-28-21/h1-10,12,14,18H,11,13,15-16H2,(H,26,29)(H,27,30,32)/t18-/m1/s1
Definition date:	2023-07-05
Last modified:	2023-10-06
Release date:	2023-10-11
Identifier:	2-(3-phenoxyphenyl)-~{N}-[5-[[(3~{R})-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide

WLW

WLW
Name:	(7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid
Formula:	C49 H47 Cl F N7 O5 S
SMILES:	COc1ccccc1c1nccc(n1)COc1ccc2cc1CC(Oc1ncnc3sc(c(c13)c1ccc(CN(CCN3CCN(C)CC3)C2)c(Cl)c1C)c1ccc(F)cc1)C(=O)O
InChi:	InChI=1S/C49H47ClFN7O5S/c1-30-37-14-11-33(44(30)50)27-58(23-22-57-20-18-56(2)19-21-57)26-31-8-15-39(62-28-36-16-17-52-46(55-36)38-6-4-5-7-40(38)61-3)34(24-31)25-41(49(59)60)63-47-43-42(37)45(64-48(43)54-29-53-47)32-9-12-35(51)13-10-32/h4-17,24,29,41H,18-23,25-28H2,1-3H3,(H,59,60)/t41-/m1/s1
Definition date:	2022-09-28
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	(7R,20P)-18-chloro-1-(4-fluorophenyl)-10-{[(2M)-2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy}-19-methyl-15-[2-(4-methylpiperazin-1-yl)ethyl]-7,8,15,16-tetrahydro-14H-17,20-etheno-9,13-(metheno)-6-oxa-2-thia-3,5,15-triazacyclooctadeca[1,2,3-cd]indene-7-carboxylic acid

ZOB

ZOB
Name:	6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide
Formula:	C22 H26 F2 N6 O5 S
SMILES:	O=S(=O)(N(CCOC)c1nc(C)cc(OCC)n1)c1ccc(NCc2c(F)cncc2F)nc1OC
InChi:	InChI=1S/C22H26F2N6O5S/c1-5-35-20-10-14(2)27-22(29-20)30(8-9-33-3)36(31,32)18-6-7-19(28-21(18)34-4)26-11-15-16(23)12-25-13-17(15)24/h6-7,10,12-13H,5,8-9,11H2,1-4H3,(H,26,28)
Definition date:	2023-06-29
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide

Z4I

Z4I
Name:	2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide
Formula:	C14 H13 F2 N5 O2
SMILES:	FC(F)C(=O)NNC(=O)c1cnc(NCc2ccccc2)nc1
InChi:	InChI=1S/C14H13F2N5O2/c15-11(16)13(23)21-20-12(22)10-7-18-14(19-8-10)17-6-9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,20,22)(H,21,23)(H,17,18,19)
Definition date:	2023-03-06
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	2-(benzylamino)-N'-(difluoroacetyl)pyrimidine-5-carbohydrazide

Z5H

Z5H
Name:	N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine
Formula:	C21 H25 N3 O S
SMILES:	CN(Cc1nc(no1)C1(CCCC1)c1ccc(C)cc1)Cc1cccs1
InChi:	InChI=1S/C21H25N3OS/c1-16-7-9-17(10-8-16)21(11-3-4-12-21)20-22-19(25-23-20)15-24(2)14-18-6-5-13-26-18/h5-10,13H,3-4,11-12,14-15H2,1-2H3
Definition date:	2023-03-06
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(thiophen-2-yl)methyl]methanamine

X5K

X5K
Name:	N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide
Formula:	C48 H69 N13 O5 S
SMILES:	Cc1n(C)nc(C)c1CN(C)c1nc(nc(n1)N(C)CCC(=O)NC1CC1)N1CCC(CC1)CCC(=O)NC(C(=O)N1CC(O)CC1C(=O)NCc1ccc(cc1)c1scnc1C)C(C)(C)C
InChi:	InChI=1S/C48H69N13O5S/c1-29-37(31(3)59(9)56-29)27-58(8)46-53-45(57(7)21-20-40(64)51-35-15-16-35)54-47(55-46)60-22-18-32(19-23-60)12-17-39(63)52-42(48(4,5)6)44(66)61-26-36(62)24-38(61)43(65)49-25-33-10-13-34(14-11-33)41-30(2)50-28-67-41/h10-11,13-14,28,32,35-36,38,42,62H,12,15-27H2,1-9H3,(H,49,65)(H,51,64)(H,52,63)/t36-,38+,42-/m1/s1
Definition date:	2022-10-28
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	N-{3-[1-(4-{[3-(cyclopropylamino)-3-oxopropyl](methyl)amino}-6-{methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}-1,3,5-triazin-2-yl)piperidin-4-yl]propanoyl}-3-methyl-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide

ZA6

ZA6
Name:	(1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine
Formula:	C23 H23 N3 O S
SMILES:	CC(N(C)Cc1nc(no1)C(c1ccccc1)c1ccccc1)c1cccs1
InChi:	InChI=1S/C23H23N3OS/c1-17(20-14-9-15-28-20)26(2)16-21-24-23(25-27-21)22(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,22H,16H2,1-2H3/t17-/m0/s1
Definition date:	2023-03-07
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	(1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine

ZTY

ZTY
Name:	(1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one
Formula:	C29 H34 N2 O4
SMILES:	C[CH]1C(=O)N(C)C=Cc2cc(OCCCCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)ccc12
InChi:	InChI=1S/C29H34N2O4/c1-20-26-10-8-24(18-22(26)12-14-30(3)28(20)32)34-16-6-5-7-17-35-25-9-11-27-21(2)29(33)31(4)15-13-23(27)19-25/h8-15,18-21H,5-7,16-17H2,1-4H3/t20-,21-/m1/s1
Synonyms:	(1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one)
Definition date:	2023-07-25
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	(1~{R})-7-[5-[[(1~{R})-1,3-dimethyl-2-oxidanylidene-1~{H}-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1~{H}-3-benzazepin-2-one

ZDF

ZDF
Name:	N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine
Formula:	C22 H29 N5 O
SMILES:	Cc1ccc(cc1)C1(CCCC1)c1nc(CN(CC)CCn2cccn2)on1
InChi:	InChI=1S/C22H29N5O/c1-3-26(15-16-27-14-6-13-23-27)17-20-24-21(25-28-20)22(11-4-5-12-22)19-9-7-18(2)8-10-19/h6-10,13-14H,3-5,11-12,15-17H2,1-2H3
Definition date:	2023-03-08
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine

ZDK

ZDK
Name:	1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine
Formula:	C23 H27 N3 O2
SMILES:	COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1ccccc1
InChi:	InChI=1S/C23H27N3O2/c1-27-17-18-12-14-26(15-13-18)16-21-24-23(25-28-21)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,22H,12-17H2,1H3
Definition date:	2023-03-08
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine

ZE2

ZE2
Name:	4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol
Formula:	C17 H25 N O5 S
SMILES:	OC1(CCN(CC1)S(=O)(=O)c1ccc(OC)c2CCCCc21)CO
InChi:	InChI=1S/C17H25NO5S/c1-23-15-6-7-16(14-5-3-2-4-13(14)15)24(21,22)18-10-8-17(20,12-19)9-11-18/h6-7,19-20H,2-5,8-12H2,1H3
Definition date:	2023-03-08
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol

LLR

LLR
Name:	(~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol
Formula:	C12 H21 Br N4 S
SMILES:	CCN(CC)c1ccc(CNN[CH](N)S)cc1Br
InChi:	InChI=1S/C12H21BrN4S/c1-3-17(4-2)11-6-5-9(7-10(11)13)8-15-16-12(14)18/h5-7,12,15-16,18H,3-4,8,14H2,1-2H3/t12-/m0/s1
Definition date:	2022-11-25
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	(~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol

OWO

OWO
Name:	7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine
Formula:	C18 H16 F N5
SMILES:	Cn1nc(C)c(c1C)c2cccc(c2F)c3ccnc4nc[nH]c34
InChi:	InChI=1S/C18H16FN5/c1-10-15(11(2)24(3)23-10)14-6-4-5-12(16(14)19)13-7-8-20-18-17(13)21-9-22-18/h4-9H,1-3H3,(H,20,21,22)
Definition date:	2023-02-17
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine

LNI

LNI
Name:	3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid
Formula:	C5 H11 O3 S
SMILES:	C[S+](C)(=O)CCC(O)=O
InChi:	InChI=1S/C5H10O3S/c1-9(2,8)4-3-5(6)7/h3-4H2,1-2H3/p+1
Synonyms:	Dimethylsulfoxonium propionate
Definition date:	2022-12-01
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid

P0M

P0M
Name:	(2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid
Formula:	C12 H11 N O5
SMILES:	N[CH](CC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
InChi:	InChI=1S/C12H11NO5/c13-9(12(16)17)3-6-4-11(15)18-10-5-7(14)1-2-8(6)10/h1-2,4-5,9,14H,3,13H2,(H,16,17)/t9-/m0/s1
Definition date:	2022-09-28
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	(2~{S})-2-azanyl-3-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)propanoic acid

QOX

QOX
Name:	1-oxo-1lambda~5~-quinoline
Formula:	C9 H7 N O
SMILES:	[O-][n+]1cccc2ccccc21
InChi:	InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
Definition date:	2022-09-14
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	1-oxo-1lambda~5~-quinoline

TY6

TY6
Name:	(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol
Formula:	C6 H15 N3 O5
SMILES:	NNNC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H15N3O5/c7-9-8-1-2-3(10)4(11)5(12)6(13)14-2/h2-6,8-13H,1,7H2/t2-,3+,4-,5+,6-/m0/s1
Definition date:	2023-05-11
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol

5D3

5D3
Name:	10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine
Formula:	C20 H17 N5 O2 S3
SMILES:	CCc1ccc(cc1)[S](=O)(=O)c2nnn3c4ccsc4c(NCc5sccc5)nc23
InChi:	InChI=1S/C20H17N5O2S3/c1-2-13-5-7-15(8-6-13)30(26,27)20-19-22-18(21-12-14-4-3-10-28-14)17-16(9-11-29-17)25(19)24-23-20/h3-11H,2,12H2,1H3,(H,21,22)
Definition date:	2021-07-08
Last modified:	2023-09-29
Release date:	2023-10-04
Identifier:	10-(4-ethylphenyl)sulfonyl-~{N}-(thiophen-2-ylmethyl)-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,7,9,11-pentaen-7-amine

LL8

LL8
Name:	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
Formula:	C15 H14 O3
SMILES:	O=C(C)CC(=O)c1ccc2c(c1)ccc(OC)c2
InChi:	InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3
Definition date:	2011-11-16
Last modified:	2023-09-25
Identifier:	1-(6-methoxynaphthalen-2-yl)butane-1,3-dione

N0U

N0U
Name:	3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide
Formula:	C27 H26 F2 N4 O
SMILES:	CN([CH]1CCCc2c(ccc(C)c12)c3ccc4c(C)n[nH]c4c3)C(=O)c5ncccc5C(F)F
InChi:	InChI=1S/C27H26F2N4O/c1-15-9-11-19(17-10-12-18-16(2)31-32-22(18)14-17)20-6-4-8-23(24(15)20)33(3)27(34)25-21(26(28)29)7-5-13-30-25/h5,7,9-14,23,26H,4,6,8H2,1-3H3,(H,31,32)/t23-/m1/s1
Definition date:	2022-08-11
Last modified:	2023-09-25
Release date:	2022-08-31
Identifier:	3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide

39B

39B
Name:	(S)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE
Formula:	C8 H9 B9 N4
SMILES:	n1c(c(c(nc1N)N)CC29%12B8B%157%10B4[H]B53C2%11B36%13B45%15B67%14B89%10B%11%12%13%14)C
InChi:	InChI=1S/C8H9B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-9-11-10(8)14(8)12(7,8)13(7,9)15(9,11)16(10,11,14)17(12,13,14)15/h2H2,1H3,(H4,18,19,20,21)/q+1
Definition date:	2005-09-30
Last modified:	2023-09-25

39E

39E
Name:	(R)-2,4-DIAMINO-5-((7,8-DICARBAUNDECABORAN-7-YL)METHYL)-6-METHYLPYRIMIDINE
Formula:	C8 H20 B9 N4
SMILES:	n1c(c(c(nc1N)N)CC29%12B8B%157%10B4[H]B53C2%11B36%13B45%15B67%14B89%10B%11%12%13%14)C
InChi:	InChI=1S/C8H20B9N4/c1-3-4(5(18)21-6(19)20-3)2-8-7-11-13(7)12(7,8)14(8)9(8)15(14)10(22-11)16(11,13,15)17(12,13,14)15/h7,9-17H,2H2,1H3,(H4,18,19,20,21)
Definition date:	2005-09-30
Last modified:	2023-09-25

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