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NWR

NWR
Name:	(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione
Formula:	C30 H36 Cl N3 O3 S2
SMILES:	Clc1ccc(C[CH]2NC(=O)CCSCc3ccc(CSCC=CCNC(=O)[CH]4CCC[N](C4)C2=O)cc3)cc1
InChi:	InChI=1S/C30H36ClN3O3S2/c31-26-11-9-22(10-12-26)18-27-30(37)34-15-3-4-25(19-34)29(36)32-14-1-2-16-38-20-23-5-7-24(8-6-23)21-39-17-13-28(35)33-27/h1-2,5-12,25,27H,3-4,13-21H2,(H,32,36)(H,33,35)/b2-1+/t25-,27-/m0/s1
Definition date:	2022-08-24
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(8~{S},14~{S},18~{E})-8-[(4-chlorophenyl)methyl]-3,21-dithia-7,10,16-triazatricyclo[21.2.2.1^{10,14}]octacosa-1(26),18,23(27),24-tetraene-6,9,15-trione

T89

T89
Name:	[4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone
Formula:	C13 H17 N O2
SMILES:	O=C(c1ccccc1)N1CCC(CO)CC1
InChi:	InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	[4-(hydroxymethyl)piperidin-1-yl](phenyl)methanone

T6R

T6R
Name:	1-ethyl-1H-benzimidazole
Formula:	C9 H10 N2
SMILES:	CCn1cnc2ccccc21
InChi:	InChI=1S/C9H10N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h3-7H,2H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-ethyl-1H-benzimidazole

T8O

T8O
Name:	4-[(difluoromethyl)sulfanyl]aniline
Formula:	C7 H7 F2 N S
SMILES:	FC(F)Sc1ccc(N)cc1
InChi:	InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-[(difluoromethyl)sulfanyl]aniline

T7B

T7B
Name:	(1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione
Formula:	C11 H10 N2 O2
SMILES:	O=C1NC(=O)NC21CCc1ccccc12
InChi:	InChI=1S/C11H10N2O2/c14-9-11(13-10(15)12-9)6-5-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H2,12,13,14,15)/t11-/m0/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(1'S)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione

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

T9F

T9F
Name:	4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine
Formula:	C12 H15 N O
SMILES:	COc1ccc(cc1)C1=CCNCC1
InChi:	InChI=1S/C12H15NO/c1-14-12-4-2-10(3-5-12)11-6-8-13-9-7-11/h2-6,13H,7-9H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-(4-methoxyphenyl)-1,2,3,6-tetrahydropyridine

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

T9X

T9X
Name:	5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
Formula:	C9 H15 N3 O
SMILES:	CC(C)c1nc(no1)C1NCCC1
InChi:	InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	5-(propan-2-yl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole

O0H

O0H
Name:	~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C23 H25 F3 N6 O3
SMILES:	CCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c4cccc(n4)C(F)(F)F
InChi:	InChI=1S/C23H25F3N6O3/c1-3-35-19-12-17-15(13-32(29-17)14-21(33)31-9-7-30(2)8-10-31)11-18(19)28-22(34)16-5-4-6-20(27-16)23(24,25)26/h4-6,11-13H,3,7-10,14H2,1-2H3,(H,28,34)
Definition date:	2022-08-25
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	~{N}-[6-ethoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

TQC

TQC
Name:	(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole
Formula:	C10 H12 N4 O
SMILES:	Cn1ccnc1c1nc(on1)C1CCC1
InChi:	InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole

TE0

TE0
Name:	1-(ethanesulfonyl)piperidine-4-carboxylic acid
Formula:	C8 H15 N O4 S
SMILES:	O=S(=O)(CC)N1CCC(CC1)C(=O)O
InChi:	InChI=1S/C8H15NO4S/c1-2-14(12,13)9-5-3-7(4-6-9)8(10)11/h7H,2-6H2,1H3,(H,10,11)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	1-(ethanesulfonyl)piperidine-4-carboxylic acid

KG0

KG0
Name:	(4R)-N-[(1R)-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(E)-C-methyl-N-oxidanyl-carbonimidoyl]-5H-1,3-thiazole-4-carboxamide
Formula:	C20 H27 N3 O5 S
SMILES:	CCC[CH](NC(=O)[C]1(C)CSC(=N1)C(C)=NO)C2=CC(=CC(=O)O2)OCC3CC3
InChi:	InChI=1S/C20H27N3O5S/c1-4-5-15(16-8-14(9-17(24)28-16)27-10-13-6-7-13)21-19(25)20(3)11-29-18(22-20)12(2)23-26/h8-9,13,15,26H,4-7,10-11H2,1-3H3,(H,21,25)/b23-12+/t15-,20+/m1/s1
Definition date:	2022-05-25
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(4~{R})-~{N}-[(1~{R})-1-[4-(cyclopropylmethoxy)-6-oxidanylidene-pyran-2-yl]butyl]-4-methyl-2-[(~{E})-~{C}-methyl-~{N}-oxidanyl-carbonimidoyl]-5~{H}-1,3-thiazole-4-carboxamide

TT3

TT3
Name:	2-(3-fluorophenoxy)-N,N-dimethylacetamide
Formula:	C10 H12 F N O2
SMILES:	CN(C)C(=O)COc1cccc(F)c1
InChi:	InChI=1S/C10H12FNO2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7H2,1-2H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-(3-fluorophenoxy)-N,N-dimethylacetamide

TU6

TU6
Name:	[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
Formula:	C11 H17 N3 O
SMILES:	Cc1cc(nc(CO)n1)N1CCCCC1
InChi:	InChI=1S/C11H17N3O/c1-9-7-11(13-10(8-15)12-9)14-5-3-2-4-6-14/h7,15H,2-6,8H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	[4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol

K1L

K1L
Name:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(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]-3~{H}-purin-6-one
Formula:	C21 H24 F N9 O11 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)N=CNc67
InChi:	InChI=1S/C21H24FN9O11P2/c22-11-16-10(40-21(11)31-7-28-12-17(23)24-4-25-18(12)31)3-39-44(36,37)41-15-8(2-38-43(34,35)42-16)1-9(14(15)32)30-6-29-13-19(30)26-5-27-20(13)33/h4-11,14-16,21,32H,1-3H2,(H,34,35)(H,36,37)(H2,23,24,25)(H,26,27,33)/t8-,9-,10-,11-,14+,15-,16-,21-/m1/s1
Definition date:	2022-05-16
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{S})-8-(6-aminopurin-9-yl)-9-fluoranyl-3,12,18-tris(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]-3~{H}-purin-6-one

TV9

TV9
Name:	N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide
Formula:	C11 H14 N2 O
SMILES:	CC(NC(=O)C1CC1)c1cccnc1
InChi:	InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanecarboxamide

TVR

TVR
Name:	(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one
Formula:	C10 H12 F N3 O
SMILES:	Fc1cccnc1N1CC(=O)NC(C)C1
InChi:	InChI=1S/C10H12FN3O/c1-7-5-14(6-9(15)13-7)10-8(11)3-2-4-12-10/h2-4,7H,5-6H2,1H3,(H,13,15)/t7-/m0/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one

TWC

TWC
Name:	2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Formula:	C6 H7 F3 N2 O
SMILES:	FC(F)(F)C=1CC(=O)N(CC)N=1
InChi:	InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h2-3H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-ethyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

TWR

TWR
Name:	2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
Formula:	C10 H13 F N2 O2
SMILES:	CN(C)C(=O)COc1ccc(N)c(F)c1
InChi:	InChI=1S/C10H13FN2O2/c1-13(2)10(14)6-15-7-3-4-9(12)8(11)5-7/h3-5H,6,12H2,1-2H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide

TI6

TI6
Name:	[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol
Formula:	C8 H17 N O3 S
SMILES:	CC1CCCN(C1CO)S(=O)(C)=O
InChi:	InChI=1S/C8H17NO3S/c1-7-4-3-5-9(8(7)6-10)13(2,11)12/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	[(2S,3S)-1-(methanesulfonyl)-3-methylpiperidin-2-yl]methanol

TX0

TX0
Name:	thiophene-3-carboxylic acid
Formula:	C5 H4 O2 S
SMILES:	O=C(O)c1ccsc1
InChi:	InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	thiophene-3-carboxylic acid

K43

K43
Name:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine
Formula:	C22 H26 F2 N10 O8 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3C[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](C[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C22H26F2N10O8P2/c23-13-11(33-7-31-15-19(25)27-5-29-21(15)33)1-9-3-39-43(35,36)42-18-10(4-40-44(37,38)41-17(9)13)2-12(14(18)24)34-8-32-16-20(26)28-6-30-22(16)34/h5-14,17-18H,1-4H2,(H,35,36)(H,37,38)(H2,25,27,29)(H2,26,28,30)/t9-,10-,11-,12-,13+,14+,17-,18-/m1/s1
Synonyms:	3',3'-c-di-(2'F,2'dAMP)
Definition date:	2022-05-19
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{R},17~{R},18~{S})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,11,13-tetraoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine

TJ0

TJ0
Name:	4-[2-(trifluoromethyl)benzoyl]piperazin-2-one
Formula:	C12 H11 F3 N2 O2
SMILES:	O=C1CN(CCN1)C(=O)c1ccccc1C(F)(F)F
InChi:	InChI=1S/C12H11F3N2O2/c13-12(14,15)9-4-2-1-3-8(9)11(19)17-6-5-16-10(18)7-17/h1-4H,5-7H2,(H,16,18)
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	4-[2-(trifluoromethyl)benzoyl]piperazin-2-one

TJA

TJA
Name:	(4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine
Formula:	C6 H10 N4
SMILES:	Cc1nnc2CNCCn12
InChi:	InChI=1S/C6H10N4/c1-5-8-9-6-4-7-2-3-10(5)6/h7H,2-4H2,1H3
Definition date:	2023-08-28
Last modified:	2023-11-24
Release date:	2023-11-29
Identifier:	(4S)-3-methyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine

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