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W5E

W5E
Name:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C22 H15 N O6
SMILES:	Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4
InChi:	InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29)
Definition date:	2023-04-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

WNO

WNO
Name:	2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine
Formula:	C15 H18 N4
SMILES:	CCN1CCN[CH]1c2cccc(n2)c3ccccn3
InChi:	InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1
Definition date:	2023-10-09
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine

VPN

VPN
Name:	(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate
Formula:	C45 H83 Br4 O13 P
SMILES:	OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC
InChi:	InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1
Definition date:	2023-09-15
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate

Y2W

Y2W
Name:	[(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid
Formula:	C7 H15 N O6 S
SMILES:	N[CH]1C[CH](O)[CH](O)[CH](O)[CH]1C[S](O)(=O)=O
InChi:	InChI=1S/C7H15NO6S/c8-4-1-5(9)7(11)6(10)3(4)2-15(12,13)14/h3-7,9-11H,1-2,8H2,(H,12,13,14)/t3-,4+,5-,6+,7+/m0/s1
Definition date:	2023-11-16
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	[(1~{S},2~{R},3~{R},4~{S},6~{R})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexyl]methanesulfonic acid

ZP2

ZP2
Name:	(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone
Formula:	C14 H10 F N O6
SMILES:	COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)cc(F)c2
InChi:	InChI=1S/C14H10FNO6/c1-22-12-5-8(4-11(14(12)19)16(20)21)13(18)7-2-9(15)6-10(17)3-7/h2-6,17,19H,1H3
Synonyms:	Pharmacokinetically Improved TTR Binder (PITB)
Definition date:	2023-06-29
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone

U5D

U5D
Name:	2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one
Formula:	C23 H20 N2 O4
SMILES:	CC1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O
InChi:	InChI=1S/C23H20N2O4/c1-13-16(22(28)21-18(26)9-6-10-19(21)27)11-12-17-20(13)23(29)25(14(2)24-17)15-7-4-3-5-8-15/h3-5,7-8,11-12,26H,6,9-10H2,1-2H3
Definition date:	2023-05-17
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one

VE6

VE6
Name:	2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid
Formula:	C16 H10 Br N O4
SMILES:	Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23
InChi:	InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22)
Synonyms:	2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid
Definition date:	2021-05-28
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid

VEO

VEO
Name:	5-methoxy-1H-indole-2-carboxylic acid
Formula:	C10 H9 N O3
SMILES:	COc1ccc2[nH]c(cc2c1)C(O)=O
InChi:	InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
Definition date:	2023-03-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-methoxy-1~{H}-indole-2-carboxylic acid

Y6Z

Y6Z
Name:	Antascomicine B
Formula:	C37 H57 N O10
SMILES:	C[CH]1CC[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)[C]3(O)O[CH](CC[CH]3C)[CH](C)C(=O)C=CCCC=C1)[CH](C)C[CH]4CC[CH](O)[CH](O)[CH]4O
InChi:	InChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7+,13-8+/t22-,23+,24+,25-,26-,27-,29+,30-,31-,32-,33-,37+/m0/s1
Synonyms:	(1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-Hydroxy-15,23,27-trimethyl-12-{(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]-2-propanyl}-11,28-dioxa-4-azatricyclo[22.3.1.0~4,9~]octacosa-16,20-diene-2,3,10,22-tetrone
Definition date:	2023-11-23
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(1~{R},9~{S},12~{S},15~{R},16~{E},20~{E},23~{R},24~{S},27~{R})-15,23,27-trimethyl-1-oxidanyl-12-[(2~{R})-1-[(1~{S},2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)cyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacosa-16,20-diene-2,3,10,22-tetrone

U7O

U7O
Name:	5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one
Formula:	C18 H22 N4 O3
SMILES:	CC(C)N1C(=O)N(C)c2ccc(c(C)c12)C(=O)c3c(C)nn(C)c3O
InChi:	InChI=1S/C18H22N4O3/c1-9(2)22-15-10(3)12(7-8-13(15)20(5)18(22)25)16(23)14-11(4)19-21(6)17(14)24/h7-9,24H,1-6H3
Definition date:	2023-05-24
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one

KFF

KFF
Name:	(3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid
Formula:	C15 H24 N6 O9 P2
SMILES:	O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O
InChi:	InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10-/m0/s1
Definition date:	2023-08-11
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-{(2S,4S)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid

YR5

YR5
Name:	3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid
Formula:	C15 H16 F N2 O7 P
SMILES:	Oc1c(CNc2cc(cc(F)c2)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C15H16FN2O7P/c1-8-14(19)13(10(5-17-8)7-25-26(22,23)24)6-18-12-3-9(15(20)21)2-11(16)4-12/h2-5,18-19H,6-7H2,1H3,(H,20,21)(H2,22,23,24)
Definition date:	2023-12-11
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	3-fluoro-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]benzoic acid

WCW

WCW
Name:	4-azanyl-1-phenyl-piperidine-4-carboxylic acid
Formula:	C12 H16 N2 O2
SMILES:	NC1(CCN(CC1)c2ccccc2)C(O)=O
InChi:	InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16)
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-azanyl-1-phenyl-piperidine-4-carboxylic acid

WD2

WD2
Name:	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine
Formula:	C10 H12 F3 N3
SMILES:	FC(F)(F)c1ccnc(c1)N2CCNCC2
InChi:	InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	1-[4-(trifluoromethyl)pyridin-2-yl]piperazine

WD5

WD5
Name:	4-(4-chlorophenyl)piperidin-4-ol
Formula:	C11 H14 Cl N O
SMILES:	OC1(CCNCC1)c2ccc(Cl)cc2
InChi:	InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2
Definition date:	2023-05-12
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(4-chlorophenyl)piperidin-4-ol

A1ACD

A1ACD
Name:	1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione
Formula:	C11 H19 N2 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC1OC(CC1O)N1C=C(C)C(=O)NC1=O
InChi:	InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-27(17,18)5-28(19,20)26-29(21,22)23/h3,7-9,14H,2,4-5H2,1H3,(H,17,18)(H,19,20)(H,12,15,16)(H2,21,22,23)/t7-,8-,9-/m1/s1
Definition date:	2024-01-10
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione

A1AD8

A1AD8
Name:	(2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
Formula:	C19 H17 F N6 O
SMILES:	Fc1ccc(nc1)c1nn2CC(C)(C)OCc2c1c1ccnc2[NH]ncc21
InChi:	InChI=1S/C19H17FN6O/c1-19(2)10-26-15(9-27-19)16(12-5-6-21-18-13(12)8-23-24-18)17(25-26)14-4-3-11(20)7-22-14/h3-8H,9-10H2,1-2H3,(H,21,23,24)
Definition date:	2024-02-05
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

A1AD9

A1AD9
Name:	(4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
Formula:	C17 H13 F N4
SMILES:	Cn1cc(c(n1)c1ccc(F)cc1)c1ccnc2[NH]ccc21
InChi:	InChI=1S/C17H13FN4/c1-22-10-15(13-6-8-19-17-14(13)7-9-20-17)16(21-22)11-2-4-12(18)5-3-11/h2-10H,1H3,(H,19,20)
Definition date:	2024-02-05
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

A1AJ8

A1AJ8
Name:	(3-fluorophenyl)(piperazin-1-yl)methanone
Formula:	C11 H13 F N2 O
SMILES:	O=C(c1cccc(F)c1)N1CCNCC1
InChi:	InChI=1S/C11H13FN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(3-fluorophenyl)(piperazin-1-yl)methanone

A1AJ9

A1AJ9
Name:	4-methoxy-2-(piperazin-1-yl)pyrimidine
Formula:	C9 H14 N4 O
SMILES:	COc1nc(ncc1)N1CCNCC1
InChi:	InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-methoxy-2-(piperazin-1-yl)pyrimidine

A1AJQ

A1AJQ
Name:	4-(piperazin-1-yl)quinoline
Formula:	C13 H15 N3
SMILES:	c1cc(c2ccccc2n1)N1CCNCC1
InChi:	InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
Definition date:	2024-04-03
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	4-(piperazin-1-yl)quinoline

A1AOE

A1AOE
Name:	(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
Formula:	C15 H21 F3 N2 O2
SMILES:	OC(CN1CCC(N)CC1)COc1cc(ccc1)C(F)(F)F
InChi:	InChI=1S/C15H21F3N2O2/c16-15(17,18)11-2-1-3-14(8-11)22-10-13(21)9-20-6-4-12(19)5-7-20/h1-3,8,12-13,21H,4-7,9-10,19H2/t13-/m1/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol

A1AOF

A1AOF
Name:	(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol
Formula:	C14 H18 Cl2 N2 O2
SMILES:	Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21
InChi:	InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol

A1AON

A1AON
Name:	(2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol
Formula:	C19 H21 Cl2 F3 N4 O2
SMILES:	OC(CN1CCC(CC1)Nc1nc(ccn1)C(F)(F)F)COc1ccc(Cl)c(Cl)c1
InChi:	InChI=1S/C19H21Cl2F3N4O2/c20-15-2-1-14(9-16(15)21)30-11-13(29)10-28-7-4-12(5-8-28)26-18-25-6-3-17(27-18)19(22,23)24/h1-3,6,9,12-13,29H,4-5,7-8,10-11H2,(H,25,26,27)/t13-/m0/s1
Definition date:	2024-04-19
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(2S)-1-(3,4-dichlorophenoxy)-3-(4-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}piperidin-1-yl)propan-2-ol

A1API

A1API
Name:	(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide
Formula:	C26 H24 Cl2 F2 N4 O4
SMILES:	O=C(NC(CC(N)=O)c1ccc(F)c(Cl)c1)c1c[NH]c(/C=C/C(=O)NCCOC)c1c1ccc(Cl)cc1F
InChi:	InChI=1S/C26H24Cl2F2N4O4/c1-38-9-8-32-24(36)7-6-21-25(16-4-3-15(27)11-20(16)30)17(13-33-21)26(37)34-22(12-23(31)35)14-2-5-19(29)18(28)10-14/h2-7,10-11,13,22,33H,8-9,12H2,1H3,(H2,31,35)(H,32,36)(H,34,37)/b7-6+/t22-/m0/s1
Definition date:	2024-04-22
Last modified:	2024-05-03
Release date:	2024-05-08
Identifier:	(4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide

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