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U1X

U1X
Name:	N-phenylpyrrolidine-1-carboxamide
Formula:	C11 H14 N2 O
SMILES:	O=C(Nc1ccccc1)N1CCCC1
InChi:	InChI=1S/C11H14N2O/c14-11(13-8-4-5-9-13)12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,14)
Definition date:	2023-08-29
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	N-phenylpyrrolidine-1-carboxamide

U29

U29
Name:	methyl (5S)-1-acetyl-5-methyl-L-prolinate
Formula:	C9 H15 N O3
SMILES:	CC1CCC(C(=O)OC)N1C(=O)C
InChi:	InChI=1S/C9H15NO3/c1-6-4-5-8(9(12)13-3)10(6)7(2)11/h6,8H,4-5H2,1-3H3/t6-,8-/m0/s1
Definition date:	2023-08-29
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	methyl (5S)-1-acetyl-5-methyl-L-prolinate

TNU

TNU
Name:	(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
Formula:	C9 H15 N3 O S
SMILES:	Cc1nc(sn1)N1CCOC(C)C1C
InChi:	InChI=1S/C9H15N3OS/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine

U2R

U2R
Name:	(4-fluorophenoxy)acetic acid
Formula:	C8 H7 F O3
SMILES:	O=C(O)COc1ccc(F)cc1
InChi:	InChI=1S/C8H7FO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
Definition date:	2023-08-29
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(4-fluorophenoxy)acetic acid

KAX

KAX
Name:	9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine
Formula:	C21 H25 F N10 O9 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH]4O[P](O)(=O)OC[CH]5C[CH]([CH](F)[CH]5O[P](O)(=O)OC[CH]4O3)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C21H25FN10O9P2/c22-14-10(31-7-29-15-18(23)25-5-27-20(15)31)1-9-3-37-42(33,34)40-11-2-13(32-8-30-16-19(24)26-6-28-21(16)32)39-12(11)4-38-43(35,36)41-17(9)14/h5-14,17H,1-4H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t9-,10-,11+,12-,13-,14+,17-/m1/s1
Definition date:	2022-05-23
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	9-[(1~{R},6~{R},8~{R},10~{S},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-18-fluoranyl-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-17-yl]purin-6-amine

43I

43I
Name:	3-azanyl-6-chloranyl-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide
Formula:	C23 H31 Cl2 N7 O
SMILES:	CC[CH]1CN(CCN1C2CCN(CC2)Cc3ccc(Cl)cc3)c4nc(N)c(nc4Cl)C(N)=O
InChi:	InChI=1S/C23H31Cl2N7O/c1-2-17-14-31(23-20(25)28-19(22(27)33)21(26)29-23)11-12-32(17)18-7-9-30(10-8-18)13-15-3-5-16(24)6-4-15/h3-6,17-18H,2,7-14H2,1H3,(H2,26,29)(H2,27,33)/t17-/m0/s1
Definition date:	2023-01-04
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	3-azanyl-6-chloranyl-5-[(3~{S})-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethyl-piperazin-1-yl]pyrazine-2-carboxamide

E7J

E7J
Name:	4-(4-oxidanylbutoxycarbonyl)benzoic acid
Formula:	C12 H14 O5
SMILES:	OCCCCOC(=O)c1ccc(cc1)C(O)=O
InChi:	InChI=1S/C12H14O5/c13-7-1-2-8-17-12(16)10-5-3-9(4-6-10)11(14)15/h3-6,13H,1-2,7-8H2,(H,14,15)
Definition date:	2023-06-14
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-(4-oxidanylbutoxycarbonyl)benzoic acid

EMX

EMX
Name:	4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid
Formula:	C20 H18 O8
SMILES:	OC(=O)c1ccc(cc1)C(=O)OCCCCOC(=O)c2ccc(cc2)C(O)=O
InChi:	InChI=1S/C20H18O8/c21-17(22)13-3-7-15(8-4-13)19(25)27-11-1-2-12-28-20(26)16-9-5-14(6-10-16)18(23)24/h3-10H,1-2,11-12H2,(H,21,22)(H,23,24)
Synonyms:	4,4'-((Butane-1,4-diylbis(oxy))bis(carbonyl))dibenzoic acid
Definition date:	2023-06-15
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-[4-(4-carboxyphenyl)carbonyloxybutoxycarbonyl]benzoic acid

FI6

FI6
Name:	N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide
Formula:	C32 H28 F3 N5 O4
SMILES:	CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N(Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5
InChi:	InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1
Synonyms:	(+/-)-AMG 487
Definition date:	2023-07-20
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}-[(1~{R})-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-~{N}-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide

ZJ9

ZJ9
Name:	~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide
Formula:	C22 H21 N3 O4
SMILES:	CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[CH]3CCc4ccccc34
InChi:	InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1
Definition date:	2023-06-26
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide

ZJF

ZJF
Name:	~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide
Formula:	C15 H17 N3 O2
SMILES:	Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3
InChi:	InChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20)
Definition date:	2023-06-26
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide

U42

U42
Name:	[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate
Formula:	C61 H96 O7
SMILES:	CCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](OC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C61H96O7/c1-12-13-14-15-16-17-18-19-20-21-22-23-41-55(62)66-46-54-56(63)57(64)58(65)59(67-54)68-61(10,11)45-29-39-50(5)37-27-36-49(4)35-26-33-47(2)31-24-25-32-48(3)34-28-38-51(6)42-43-53-52(7)40-30-44-60(53,8)9/h24-28,31-38,42-43,54,56-59,63-65H,12-23,29-30,39-41,44-46H2,1-11H3/b25-24+,33-26+,34-28+,36-27+,43-42+,47-31+,48-32+,49-35+,50-37+,51-38+/t54-,56-,57+,58-,59-/m1/s1
Definition date:	2023-05-15
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[(6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E})-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl pentadecanoate

XRU

XRU
Name:	(3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
Formula:	C22 H36 Cl N5 O2
SMILES:	O=C(Nc1cc(C(=O)NCCN(CC)CC)c(Cl)cc1)N1CCC(C1)N(CC)CC
InChi:	InChI=1S/C22H36ClN5O2/c1-5-26(6-2)14-12-24-21(29)19-15-17(9-10-20(19)23)25-22(30)28-13-11-18(16-28)27(7-3)8-4/h9-10,15,18H,5-8,11-14,16H2,1-4H3,(H,24,29)(H,25,30)/t18-/m0/s1
Definition date:	2023-11-09
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	(3S)-N-(4-chloro-3-{[2-(diethylamino)ethyl]carbamoyl}phenyl)-3-(diethylamino)pyrrolidine-1-carboxamide

XE3

XE3
Name:	2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide
Formula:	C17 H19 F3 N4 O5 S
SMILES:	Cc1ccc(cc1Nc2occ(n2)C(=O)N[S](=O)(=O)N3CCCOCC3)C(F)(F)F
InChi:	InChI=1S/C17H19F3N4O5S/c1-11-3-4-12(17(18,19)20)9-13(11)21-16-22-14(10-29-16)15(25)23-30(26,27)24-5-2-7-28-8-6-24/h3-4,9-10H,2,5-8H2,1H3,(H,21,22)(H,23,25)
Definition date:	2023-10-31
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide

UIW

UIW
Name:	5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
Formula:	C21 H18 Br F N4 O2
SMILES:	Fc1cc(cc(Br)c1)C(=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC
InChi:	InChI=1S/C21H18BrFN4O2/c1-12-5-3-4-6-17(12)26-19-18(9-14(11-25-19)20(28)24-2)27-21(29)13-7-15(22)10-16(23)8-13/h3-11H,1-2H3,(H,24,28)(H,25,26)(H,27,29)
Definition date:	2023-09-05
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide

UJC

UJC
Name:	(1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide
Formula:	C25 H19 F4 N3 O3
SMILES:	FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c21)c1ccccc1C)C(=O)NC
InChi:	InChI=1S/C25H19F4N3O3/c1-12-5-3-4-6-17(12)21-20-18(24(35)32-21)9-14(22(33)30-2)10-19(20)31-23(34)13-7-15(25(27,28)29)11-16(26)8-13/h3-11,21H,1-2H3,(H,30,33)(H,31,34)(H,32,35)/t21-/m0/s1
Definition date:	2023-09-05
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	(1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide

QY3

QY3
Name:	2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide
Formula:	C21 H23 F N4 O4 S3
SMILES:	Nc1ccc(cc1[S](N)(=O)=O)[S](=O)(=O)N2CCN(CC2)Cc3sc(cc3)c4ccccc4F
InChi:	InChI=1S/C21H23FN4O4S3/c22-18-4-2-1-3-17(18)20-8-5-15(31-20)14-25-9-11-26(12-10-25)33(29,30)16-6-7-19(23)21(13-16)32(24,27)28/h1-8,13H,9-12,14,23H2,(H2,24,27,28)
Definition date:	2022-11-16
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	2-azanyl-5-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]sulfonyl-benzenesulfonamide

XUZ

XUZ
Name:	N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide
Formula:	C29 H14 Cl F5 N6 O2
SMILES:	FC(F)(F)c1cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c3cc(F)ccc3Cl)c21)c1ccc2ncnn2c1C#N
InChi:	InChI=1S/C29H14ClF5N6O2/c30-21-3-1-16(31)10-19(21)26-25-20(28(43)40-26)7-13(18-2-4-24-37-12-38-41(24)23(18)11-36)8-22(25)39-27(42)14-5-15(29(33,34)35)9-17(32)6-14/h1-10,12,26H,(H,39,42)(H,40,43)/t26-/m0/s1
Synonyms:	RLY-2608
Definition date:	2023-11-13
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	N-{(3R,6M)-3-(2-chloro-5-fluorophenyl)-6-[(4S)-5-cyano[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-3-fluoro-5-(trifluoromethyl)benzamide

VSN

VSN
Name:	5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine
Formula:	C10 H15 N5 O10 P2 S
SMILES:	OP(O)(=S)OP(=O)(O)OCC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O
InChi:	InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(24-9)1-23-26(19,20)25-27(21,22)28/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H2,21,22,28)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Definition date:	2023-09-16
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]guanosine

QKO

QKO
Name:	1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea
Formula:	C16 H18 N6 O4 S2
SMILES:	N[S](=O)(=O)c1ccc(NC(=S)N[CH]2CCN(C2)c3cccc(n3)[N+]([O-])=O)cc1
InChi:	InChI=1S/C16H18N6O4S2/c17-28(25,26)13-6-4-11(5-7-13)18-16(27)19-12-8-9-21(10-12)14-2-1-3-15(20-14)22(23)24/h1-7,12H,8-10H2,(H2,17,25,26)(H2,18,19,27)/t12-/m1/s1
Synonyms:	(R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Definition date:	2022-11-08
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea

QQC

QQC
Name:	3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
Formula:	C23 H25 Cl F N7 O
SMILES:	Cc1[nH]nc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)c1
InChi:	InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
Definition date:	2022-11-11
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

ZUL

ZUL
Name:	4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid
Formula:	C19 H14 F N O2
SMILES:	OC(=O)c1ccc(F)cc1Nc2cccc(c2)c3ccccc3
InChi:	InChI=1S/C19H14FNO2/c20-15-9-10-17(19(22)23)18(12-15)21-16-8-4-7-14(11-16)13-5-2-1-3-6-13/h1-12,21H,(H,22,23)
Definition date:	2023-07-05
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid

ZUP

ZUP
Name:	2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid
Formula:	C20 H18 N2 O3
SMILES:	OC(=O)c1cccnc1Nc2cccc(OCCc3ccccc3)c2
InChi:	InChI=1S/C20H18N2O3/c23-20(24)18-10-5-12-21-19(18)22-16-8-4-9-17(14-16)25-13-11-15-6-2-1-3-7-15/h1-10,12,14H,11,13H2,(H,21,22)(H,23,24)
Definition date:	2023-07-05
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid

ZUT

ZUT
Name:	4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid
Formula:	C20 H16 F N O3
SMILES:	OC(=O)c1ccc(F)cc1Nc2cccc(OCc3ccccc3)c2
InChi:	InChI=1S/C20H16FNO3/c21-15-9-10-18(20(23)24)19(11-15)22-16-7-4-8-17(12-16)25-13-14-5-2-1-3-6-14/h1-12,22H,13H2,(H,23,24)
Definition date:	2023-07-05
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid

VZF

VZF
Name:	2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one
Formula:	C20 H28 N6 O4
SMILES:	COc1ccc(CNc2nc(nc3N(C(C)C)C(=O)Nc23)N(CCO)CCO)cc1
InChi:	InChI=1S/C20H28N6O4/c1-13(2)26-18-16(22-20(26)29)17(21-12-14-4-6-15(30-3)7-5-14)23-19(24-18)25(8-10-27)9-11-28/h4-7,13,27-28H,8-12H2,1-3H3,(H,22,29)(H,21,23,24)
Definition date:	2023-09-06
Last modified:	2023-11-17
Release date:	2023-11-22
Identifier:	2-[bis(2-hydroxyethyl)amino]-6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7~{H}-purin-8-one

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