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JR0

JR0
Name:	N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide
Formula:	C34 H39 N7 O5
SMILES:	O=C(C1CCN(CC1)c1nc(C)cc(n1)C(=O)NCc1ccccc1)N1CCN(CC1)C(=O)c1cc2c(OC)c(OC)ccc2[NH]1
InChi:	InChI=1S/C34H39N7O5/c1-22-19-27(31(42)35-21-23-7-5-4-6-8-23)38-34(36-22)41-13-11-24(12-14-41)32(43)39-15-17-40(18-16-39)33(44)28-20-25-26(37-28)9-10-29(45-2)30(25)46-3/h4-10,19-20,24,37H,11-18,21H2,1-3H3,(H,35,42)
Definition date:	2023-08-08
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide

JS9

JS9
Name:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide
Formula:	C31 H35 N5 O4
SMILES:	COCC1(CC1)CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC
InChi:	InChI=1S/C31H35N5O4/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4/h5-12,17-19H,13-16,20-21H2,1-4H3
Definition date:	2023-08-09
Last modified:	2024-04-19
Release date:	2024-04-24
Identifier:	4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide

TKC

TKC
Name:	(2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid
Formula:	C15 H23 N6 O16 P3
SMILES:	N[CH](CCC(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C15H23N6O16P3/c16-6(15(25)26)1-2-8(22)35-39(29,30)37-40(31,32)36-38(27,28)33-3-7-10(23)11(24)14(34-7)21-5-20-9-12(17)18-4-19-13(9)21/h4-7,10-11,14,23-24H,1-3,16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H2,17,18,19)/t6-,7-,10-,11+,14-/m1/s1
Definition date:	2023-04-26
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(2~{R})-5-[[[[(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-azanyl-5-oxidanylidene-pentanoic acid

VN6

VN6
Name:	5-[[3-(aminomethyl)azetidin-1-yl]methyl]-N-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
Formula:	C30 H37 N9 O5 S2
SMILES:	CN(c1ccc(CN2CC(CN)C2)cc1C(=O)Nc3ccc(cc3)[S](=O)(=O)N4CCN(CC4)c5nc(C)cc(n5)C#N)[S](C)(=O)=O
InChi:	InChI=1S/C30H37N9O5S2/c1-21-14-25(17-32)35-30(33-21)38-10-12-39(13-11-38)46(43,44)26-7-5-24(6-8-26)34-29(40)27-15-22(18-37-19-23(16-31)20-37)4-9-28(27)36(2)45(3,41)42/h4-9,14-15,23H,10-13,16,18-20,31H2,1-3H3,(H,34,40)
Definition date:	2023-09-14
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	5-[[3-(aminomethyl)azetidin-1-yl]methyl]-~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide

V83

V83
Name:	(1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Formula:	C19 H23 N O5 S
SMILES:	O=C(O)C1CC=CCC1C(=O)Nc1sc2CCCCCc2c1C(=O)OC
InChi:	InChI=1S/C19H23NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21)(H,22,23)/t11-,12-/m1/s1
Definition date:	2023-09-11
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

UEX

UEX
Name:	6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
Formula:	C25 H23 Cl N6 O3
SMILES:	C[CH](Nc1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5ccncc5C4
InChi:	InChI=1S/C25H23ClN6O3/c1-13-8-17(14(2)28-19-4-5-20(26)29-22(19)24(34)35)21-18(9-13)23(33)31(3)25(30-21)32-11-15-6-7-27-10-16(15)12-32/h4-10,14,28H,11-12H2,1-3H3,(H,34,35)/t14-/m1/s1
Definition date:	2023-09-08
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	6-chloranyl-3-[[(1~{R})-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid

XIU

XIU
Name:	2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide
Formula:	C24 H19 Cl N6 O
SMILES:	Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c4ccc(cc4)c5[nH]cnc5)c1
InChi:	InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)
Synonyms:	CCF0058981
Definition date:	2023-11-03
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide

ZM5

ZM5
Name:	(2R)-2-(tridecanoyloxy)propyl hexadecanoate
Formula:	C32 H62 O5
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCCCCC
InChi:	InChI=1S/C32H62O5/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(34)36-29-30(28-33)37-32(35)27-25-23-21-18-14-12-10-8-6-4-2/h30,33H,3-29H2,1-2H3/t30-/m1/s1
Synonyms:	(3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate
Definition date:	2024-01-22
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate

TN9

TN9
Name:	N-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1H-1,2,3-triazol-4-yl)-N-(2H-1,2,3-triazol-4-ylmethyl)methanamine
Formula:	C21 H36 N10 O3
SMILES:	CCCCCCOCCOCCOCCn1cc(CN(Cc2cn[nH]n2)Cc3c[nH]nn3)nn1
InChi:	InChI=1S/C21H36N10O3/c1-2-3-4-5-7-32-9-11-34-12-10-33-8-6-31-18-21(26-29-31)17-30(15-19-13-22-27-24-19)16-20-14-23-28-25-20/h13-14,18H,2-12,15-17H2,1H3,(H,22,24,27)(H,23,25,28)
Definition date:	2023-04-27
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	~{N}-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1~{H}-1,2,3-triazol-4-yl)-~{N}-(2~{H}-1,2,3-triazol-4-ylmethyl)methanamine

VQ9

VQ9
Name:	2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide
Formula:	C26 H27 F3 N4 O5 S2
SMILES:	CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F)[S](C)(=O)=O
InChi:	InChI=1S/C26H27F3N4O5S2/c1-31(39(2,35)36)24-9-4-3-8-23(24)25(34)30-20-10-12-22(13-11-20)40(37,38)33-16-14-32(15-17-33)21-7-5-6-19(18-21)26(27,28)29/h3-13,18H,14-17H2,1-2H3,(H,30,34)
Definition date:	2023-09-18
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-[methyl(methylsulfonyl)amino]-~{N}-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylphenyl]benzamide

UJ3

UJ3
Name:	1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea
Formula:	C22 H22 F N3 O3
SMILES:	CC(C)[CH](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc4ccc(F)cc4c3C
InChi:	InChI=1S/C22H22FN3O3/c1-11(2)19(20-12(3)17-9-14(23)4-7-18(17)29-20)26-22(28)25-15-5-6-16-13(8-15)10-24-21(16)27/h4-9,11,19H,10H2,1-3H3,(H,24,27)(H2,25,26,28)/t19-/m0/s1
Synonyms:	SCHEMBL24756013
Definition date:	2023-09-08
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	1-[(1~{S})-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea

Y5F

Y5F
Name:	2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	O=C(Nc1cc(cnc1)C#N)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C13H7ClN4O3/c14-12-2-1-10(18(20)21)4-11(12)13(19)17-9-3-8(5-15)6-16-7-9/h1-4,6-7H,(H,17,19)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-cyanopyridin-3-yl)-5-nitrobenzamide

Y5O

Y5O
Name:	2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	N#Cc1ccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)cn1
InChi:	InChI=1S/C13H7ClN4O3/c14-12-4-3-10(18(20)21)5-11(12)13(19)17-9-2-1-8(6-15)16-7-9/h1-5,7H,(H,17,19)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(6-cyanopyridin-3-yl)-5-nitrobenzamide

Y5T

Y5T
Name:	2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide
Formula:	C13 H10 Cl N3 O3
SMILES:	Cc1cc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)ccn1
InChi:	InChI=1S/C13H10ClN3O3/c1-8-6-9(4-5-15-8)16-13(18)11-7-10(17(19)20)2-3-12(11)14/h2-7H,1H3,(H,15,16,18)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(2-methylpyridin-4-yl)-5-nitrobenzamide

Y5X

Y5X
Name:	2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide
Formula:	C12 H7 Cl F N3 O3
SMILES:	O=C(Nc1cc(F)cnc1)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C12H7ClFN3O3/c13-11-2-1-9(17(19)20)4-10(11)12(18)16-8-3-7(14)5-15-6-8/h1-6H,(H,16,18)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-fluoropyridin-3-yl)-5-nitrobenzamide

VTF

VTF
Name:	~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
Formula:	C25 H27 N7 O5 S2
SMILES:	CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCN(CC3)c4nc(C)cc(n4)C#N)[S](C)(=O)=O
InChi:	InChI=1S/C25H27N7O5S2/c1-18-16-20(17-26)29-25(27-18)31-12-14-32(15-13-31)39(36,37)21-10-8-19(9-11-21)28-24(33)22-6-4-5-7-23(22)30(2)38(3,34)35/h4-11,16H,12-15H2,1-3H3,(H,28,33)
Definition date:	2023-09-18
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	~{N}-[4-[4-(4-cyano-6-methyl-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide

Y62

Y62
Name:	2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide
Formula:	C13 H7 Cl N4 O3
SMILES:	O=C(Nc1ccc(cn1)C#N)c1cc(ccc1Cl)[N+]([O-])=O
InChi:	InChI=1S/C13H7ClN4O3/c14-11-3-2-9(18(20)21)5-10(11)13(19)17-12-4-1-8(6-15)7-16-12/h1-5,7H,(H,16,17,19)
Definition date:	2023-01-05
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-chloro-N-(5-cyanopyridin-2-yl)-5-nitrobenzamide

ZRJ

ZRJ
Name:	tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate
Formula:	C14 H21 N O4
SMILES:	COc1cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C
InChi:	InChI=1S/C14H21NO4/c1-14(2,3)19-13(16)12(15)9-6-10(17-4)8-11(7-9)18-5/h6-8,12H,15H2,1-5H3/t12-/m0/s1
Synonyms:	~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
Definition date:	2024-01-22
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate

VTK

VTK
Name:	2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide
Formula:	C20 H25 N3 O5 S2
SMILES:	CN(c1ccccc1C(=O)Nc2ccc(cc2)[S](=O)(=O)N3CCCCC3)[S](C)(=O)=O
InChi:	InChI=1S/C20H25N3O5S2/c1-22(29(2,25)26)19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-3-7-15-23/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,21,24)
Definition date:	2023-09-18
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-[methyl(methylsulfonyl)amino]-~{N}-(4-piperidin-1-ylsulfonylphenyl)benzamide

SY6

SY6
Name:	N-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3R)-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide
Formula:	C20 H18 N6 O3
SMILES:	O[CH]1CCN(C1)c2ccc3c(O)c(ncc3n2)C(=O)NCc4ccc(nc4)C#N
InChi:	InChI=1S/C20H18N6O3/c21-7-13-2-1-12(8-22-13)9-24-20(29)18-19(28)15-3-4-17(25-16(15)10-23-18)26-6-5-14(27)11-26/h1-4,8,10,14,27-28H,5-6,9,11H2,(H,24,29)/t14-/m1/s1
Definition date:	2023-04-18
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	~{N}-[(6-cyanopyridin-3-yl)methyl]-5-oxidanyl-2-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,7-naphthyridine-6-carboxamide

SZO

SZO
Name:	5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one
Formula:	C22 H18 N2 O4
SMILES:	Cc1c(ccc2N=CN(C(=O)c12)c3ccccc3)C(=O)C4=C(O)CCCC4=O
InChi:	InChI=1S/C22H18N2O4/c1-13-15(21(27)20-17(25)8-5-9-18(20)26)10-11-16-19(13)22(28)24(12-23-16)14-6-3-2-4-7-14/h2-4,6-7,10-12,25H,5,8-9H2,1H3
Definition date:	2023-04-19
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one

WCK

WCK
Name:	(4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine
Formula:	C18 H20 N6 O S
SMILES:	Cc1nc(N)sc1c1nc(Nc2ccc(cc2)N2CCOCC2)ncc1
InChi:	InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-7H,8-11H2,1H3,(H2,19,21)(H,20,22,23)
Definition date:	2023-09-29
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	(4P)-4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine

ZUV

ZUV
Name:	ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate
Formula:	C17 H31 F N O4 P
SMILES:	FP(=O)(CCCCCCCCCCOC(=O)NCCC#C)OCC
InChi:	InChI=1S/C17H31FNO4P/c1-3-5-14-19-17(20)22-15-12-10-8-6-7-9-11-13-16-24(18,21)23-4-2/h1H,4-16H2,2H3,(H,19,20)/t24-/m1/s1
Definition date:	2023-04-04
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate

S7L

S7L
Name:	1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium
Formula:	C24 H22 N2
SMILES:	C(c1ccccc1)[n+]2ccc(cc2)c3cc[n+](Cc4ccccc4)cc3
InChi:	InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2
Definition date:	2023-04-11
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	1-(phenylmethyl)-4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium

VIJ

VIJ
Name:	2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid
Formula:	C21 H23 N O3
SMILES:	CCCCCc1ccc(C=CC(=O)Nc2ccccc2C(O)=O)cc1
InChi:	InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
Synonyms:	N-(p-Amylcinnamoyl)anthranilic acid
Definition date:	2023-09-13
Last modified:	2024-04-12
Release date:	2024-04-17
Identifier:	2-[[(~{E})-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid

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