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HXO

HXO
Name:	(2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide
Formula:	C14 H20 N4 O6 S
SMILES:	C[CH](NC(=O)[CH](Cc1ccc(cc1)[S](N)(=O)=O)NC(C)=O)C(=O)NO
InChi:	InChI=1S/C14H20N4O6S/c1-8(13(20)18-22)16-14(21)12(17-9(2)19)7-10-3-5-11(6-4-10)25(15,23)24/h3-6,8,12,22H,7H2,1-2H3,(H,16,21)(H,17,19)(H,18,20)(H2,15,23,24)/t8-,12+/m1/s1
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	(2~{S})-2-acetamido-~{N}-[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide

HXR

HXR
Name:	N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide
Formula:	C14 H14 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2ccc(CC(=O)NO)cc2
InChi:	InChI=1S/C14H14N2O4S/c15-21(19,20)13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)16-18/h1-8,18H,9H2,(H,16,17)(H2,15,19,20)
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide

HY6

HY6
Name:	N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide
Formula:	C10 H13 N3 O5 S
SMILES:	N[S](=O)(=O)c1ccc(CC(=O)NCC(=O)NO)cc1
InChi:	InChI=1S/C10H13N3O5S/c11-19(17,18)8-3-1-7(2-4-8)5-9(14)12-6-10(15)13-16/h1-4,16H,5-6H2,(H,12,14)(H,13,15)(H2,11,17,18)
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide

HY9

HY9
Name:	2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid
Formula:	C17 H30 N4 O6
SMILES:	C[CH](NC(=O)[CH](CCN(CC1CCCC1)CC(O)=O)NC(C)=O)C(=O)NO
InChi:	InChI=1S/C17H30N4O6/c1-11(16(25)20-27)18-17(26)14(19-12(2)22)7-8-21(10-15(23)24)9-13-5-3-4-6-13/h11,13-14,27H,3-10H2,1-2H3,(H,18,26)(H,19,22)(H,20,25)(H,23,24)/t11-,14+/m1/s1
Definition date:	2021-02-22
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	2-[[(3~{S})-3-acetamido-4-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid

6GI

6GI
Name:	13-[4-({Imidazo[1,2-a]pyridin-2-yl}methoxy)phenyl]-4,8-dioxa-12,14,16,18-tetraazatetracyclo[9.7.0.0^{3,9}.0^{12,17}]octadeca-1(11),2,9,15,17-pentaen-15-amine
Formula:	C26 H23 N7 O3
SMILES:	NC1=Nc2nc3cc4OCCCOc4cc3n2[CH](N1)c5ccc(OCc6cn7ccccc7n6)cc5
InChi:	InChI=1S/C26H23N7O3/c27-25-30-24(33-20-13-22-21(34-10-3-11-35-22)12-19(20)29-26(33)31-25)16-5-7-18(8-6-16)36-15-17-14-32-9-2-1-4-23(32)28-17/h1-2,4-9,12-14,24H,3,10-11,15H2,(H3,27,29,30,31)/t24-/m1/s1
Definition date:	2022-02-10
Last modified:	2022-02-18
Release date:	2022-02-23

7IF

7IF
Name:	N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
Formula:	C20 H23 F3 N6 O3
SMILES:	COCCNc1cc(NC(=O)N2CCCc3ccc(nc23)C(=O)C(F)(F)F)ncc1CN
InChi:	InChI=1S/C20H23F3N6O3/c1-32-8-6-25-15-9-16(26-11-13(15)10-24)28-19(31)29-7-2-3-12-4-5-14(27-18(12)29)17(30)20(21,22)23/h4-5,9,11H,2-3,6-8,10,24H2,1H3,(H2,25,26,28,31)
Definition date:	2021-10-05
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide

04Y

04Y
Name:	N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide
Formula:	C20 H23 N3 O
SMILES:	O=C(NC1CC1)C1CCN(CC1)c1cnccc1c1ccccc1
InChi:	InChI=1S/C20H23N3O/c24-20(22-17-6-7-17)16-9-12-23(13-10-16)19-14-21-11-8-18(19)15-4-2-1-3-5-15/h1-5,8,11,14,16-17H,6-7,9-10,12-13H2,(H,22,24)
Definition date:	2021-06-01
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	N-cyclopropyl-1-(4-phenylpyridin-3-yl)piperidine-4-carboxamide

05D

05D
Name:	N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide
Formula:	C17 H23 N5 O
SMILES:	CN(C)C(=O)C1CCN(CC1)c1cnccc1n1cc(C)cn1
InChi:	InChI=1S/C17H23N5O/c1-13-10-19-22(12-13)15-4-7-18-11-16(15)21-8-5-14(6-9-21)17(23)20(2)3/h4,7,10-12,14H,5-6,8-9H2,1-3H3
Definition date:	2021-06-01
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide

QRT

QRT
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N3 O10 P
SMILES:	NC(=O)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C10H14N3O10P/c11-8(17)3-1-5(14)12-10(18)13(3)9-7(16)6(15)4(23-9)2-22-24(19,20)21/h1,4,6-7,9,15-16H,2H2,(H2,11,17)(H,12,14,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1
Definition date:	2020-07-31
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-aminocarbonyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

QRZ

QRZ
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N3 O9 P S
SMILES:	NC(=S)C1=CC(=O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
InChi:	InChI=1S/C10H14N3O9PS/c11-8(24)3-1-5(14)12-10(17)13(3)9-7(16)6(15)4(22-9)2-21-23(18,19)20/h1,4,6-7,9,15-16H,2H2,(H2,11,24)(H,12,14,17)(H2,18,19,20)/t4-,6-,7-,9-/m1/s1
Definition date:	2020-07-31
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[6-carbamothioyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

R1W

R1W
Name:	~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide
Formula:	C28 H30 Cl N5 O
SMILES:	CCC(=O)Nc1cc(ccc1C)c2c([nH]c3nccc(Cl)c23)c4ccc(cc4)N5CCN(C)CC5
InChi:	InChI=1S/C28H30ClN5O/c1-4-24(35)31-23-17-20(6-5-18(23)2)25-26-22(29)11-12-30-28(26)32-27(25)19-7-9-21(10-8-19)34-15-13-33(3)14-16-34/h5-12,17H,4,13-16H2,1-3H3,(H,30,32)(H,31,35)
Definition date:	2020-08-25
Last modified:	2022-02-18
Release date:	2022-02-23
Identifier:	~{N}-[5-[4-chloranyl-2-[4-(4-methylpiperazin-1-yl)phenyl]-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]propanamide

4VH

4VH
Name:	N-[2-[4-[(2S)-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide
Formula:	C30 H38 N6 O10 S
SMILES:	OCCNC(=O)[CH](Cc1cn(CCNC(=O)c2ccc(S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2)nn1)NC(=O)COc4ccccc4
InChi:	InChI=1S/C30H38N6O10S/c37-13-11-32-29(44)22(33-24(39)17-45-20-4-2-1-3-5-20)14-19-15-36(35-34-19)12-10-31-28(43)18-6-8-21(9-7-18)47-30-27(42)26(41)25(40)23(16-38)46-30/h1-9,15,22-23,25-27,30,37-38,40-42H,10-14,16-17H2,(H,31,43)(H,32,44)(H,33,39)/t22-,23+,25-,26-,27+,30-/m0/s1
Definition date:	2021-08-06
Last modified:	2022-02-15
Release date:	2022-02-16
Identifier:	~{N}-[2-[4-[(2~{S})-3-(2-hydroxyethylamino)-3-oxidanylidene-2-(2-phenoxyethanoylamino)propyl]-1,2,3-triazol-1-yl]ethyl]-4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-benzamide

V8K

V8K
Name:	Dolichylphosphate
Formula:	C55 H91 O4 P
SMILES:	C[CH](CCO[P](O)(O)=O)CCC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:	InChI=1S/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-59-60(56,57)58/h21,23,25,27,29,31,33,35,37,39-41,55H,13-20,22,24,26,28,30,32,34,36,38,42-44H2,1-12H3,(H2,56,57,58)/b40-21+,46-25+,47-27+,48-29+,49-31+,50-33+,51-35+,52-37+,53-39+,54-41+/t55-/m1/s1
Definition date:	2021-04-29
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	[(3~{R},6~{E},8~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,8,10,14,18,22,26,30,34,38,42-undecaenyl] dihydrogen phosphate

Z3J

Z3J
Name:	5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide
Formula:	C23 H24 N2 O5
SMILES:	CNC(=O)c1c2c(oc1c1ccc(O)cc1)ccc(O)c2CN1CCC2(C1)COC2
InChi:	InChI=1S/C23H24N2O5/c1-24-22(28)20-19-16(10-25-9-8-23(11-25)12-29-13-23)17(27)6-7-18(19)30-21(20)14-2-4-15(26)5-3-14/h2-7,26-27H,8-13H2,1H3,(H,24,28)
Definition date:	2021-04-08
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide

Y37

Y37
Name:	(1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid
Formula:	C14 H18 F N2 O7 P
SMILES:	C1C(C(=CC1C(O)=O)NCc2c(cnc(C)c2O)COP(O)(O)=O)F
InChi:	InChI=1S/C14H18FN2O7P/c1-7-13(18)10(9(4-16-7)6-24-25(21,22)23)5-17-12-3-8(14(19)20)2-11(12)15/h3-4,8,11,17-18H,2,5-6H2,1H3,(H,19,20)(H2,21,22,23)/t8-,11-/m1/s1
Definition date:	2021-02-01
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	(1R,4R)-4-fluoro-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-2-ene-1-carboxylic acid

Y3D

Y3D
Name:	(1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid
Formula:	C14 H17 N2 O8 P
SMILES:	[C@H](c1c(cnc(C)c1O)COP(=O)(O)O)=NC2CC(CC2=O)C(O)=O
InChi:	InChI=1S/C14H17N2O8P/c1-7-13(18)10(9(4-15-7)6-24-25(21,22)23)5-16-11-2-8(14(19)20)3-12(11)17/h4-5,8,11,18H,2-3,6H2,1H3,(H,19,20)(H2,21,22,23)/b16-5+/t8-,11+/m1/s1
Definition date:	2021-02-01
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	(1R,3S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-oxocyclopentane-1-carboxylic acid

YOV

YOV
Name:	4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one
Formula:	C15 H19 Cl N4 O
SMILES:	CN1N=CC(Nc2ccc(CCN(C)C)cc2)=C(Cl)C1=O
InChi:	InChI=1S/C15H19ClN4O/c1-19(2)9-8-11-4-6-12(7-5-11)18-13-10-17-20(3)15(21)14(13)16/h4-7,10,18H,8-9H2,1-3H3
Definition date:	2021-03-18
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	4-chloro-5-{4-[2-(dimethylamino)ethyl]anilino}-2-methylpyridazin-3(2H)-one

YA7

YA7
Name:	N-(5-(6-(2-((2S,6R)-2,6-dimethylmorpholino)pyridin-4-yl)-1-oxoisoindolin-4-yl)-2-methoxypyridin-3-yl)methanesulfonamide
Formula:	C26 H29 N5 O5 S
SMILES:	COc1ncc(cc1N[S](C)(=O)=O)c2cc(cc3C(=O)NCc23)c4ccnc(c4)N5C[CH](C)O[CH](C)C5
InChi:	InChI=1S/C26H29N5O5S/c1-15-13-31(14-16(2)36-15)24-10-17(5-6-27-24)18-7-20(22-12-28-25(32)21(22)8-18)19-9-23(30-37(4,33)34)26(35-3)29-11-19/h5-11,15-16,30H,12-14H2,1-4H3,(H,28,32)/t15-,16+
Definition date:	2021-02-15
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	~{N}-[5-[6-[2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyridin-4-yl]-1-oxidanylidene-2,3-dihydroisoindol-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide

YAD

YAD
Name:	(phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate
Formula:	C24 H25 N5 O5
SMILES:	OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccncc4
InChi:	InChI=1S/C24H25N5O5/c30-20-19(22(31)26-13-10-16-8-11-25-12-9-16)27-21(28-23(20)32)18-7-4-14-29(18)24(33)34-15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,18,30H,4,7,10,13-15H2,(H,26,31)(H,27,28,32)/t18-/m0/s1
Definition date:	2021-02-15
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	(phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate

YB4

YB4
Name:	~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
Formula:	C35 H42 N8 O2
SMILES:	CCC(=O)Nc1cc(ccc1Nc2ncc3CCc4n(ccc4C(=O)Nc5c(CC)cccc5CC)c3n2)N6CCN(C)CC6
InChi:	InChI=1S/C35H42N8O2/c1-5-23-9-8-10-24(6-2)32(23)39-34(45)27-15-16-43-30(27)14-11-25-22-36-35(40-33(25)43)38-28-13-12-26(21-29(28)37-31(44)7-3)42-19-17-41(4)18-20-42/h8-10,12-13,15-16,21-22H,5-7,11,14,17-20H2,1-4H3,(H,37,44)(H,39,45)(H,36,38,40)
Definition date:	2021-02-15
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide

BKF

BKF
Name:	(1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
Formula:	C32 H43 Cl N2 O9
SMILES:	C3C(C4(C)C(C(C)C1OC(=O)NC(C1)(C(C=CC=C(C)Cc2cc(c(c(c2)N(C3=O)C)Cl)OC)OC)O)O4)OC(=O)C(C)C
InChi:	InChI=1S/C32H43ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9-,18-10-/t19-,23-,24+,25-,28-,31-,32-/m0/s1
Definition date:	2019-02-12
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	(1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate

GMI

GMI
Name:	[2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethoxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:	C13 H21 N4 O6 P2 S
SMILES:	O=P(O)(O)CP(=O)(O)OCCc1sc[n+](Cc2cnc(C)nc2N)c1C
InChi:	InChI=1S/C13H20N4O6P2S/c1-9-12(3-4-23-25(21,22)8-24(18,19)20)26-7-17(9)6-11-5-15-10(2)16-13(11)14/h5,7H,3-4,6,8H2,1-2H3,(H4-,14,15,16,18,19,20,21,22)/p+1
Definition date:	2022-01-03
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonomethyl)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium

J2C

J2C
Name:	8-(2-chloroacetyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Formula:	C14 H17 Cl N2 O3 S
SMILES:	ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3occc3
InChi:	InChI=1S/C14H17ClN2O3S/c15-8-12(18)16-5-3-14(4-6-16)17(13(19)10-21-14)9-11-2-1-7-20-11/h1-2,7H,3-6,8-10H2
Definition date:	2021-03-24
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	8-(2-chloranylethanoyl)-4-(furan-2-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

J3X

J3X
Name:	4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Formula:	C14 H16 Br Cl N2 O3 S
SMILES:	ClCC(=O)N1CCC2(CC1)SCC(=O)N2Cc3oc(Br)cc3
InChi:	InChI=1S/C14H16BrClN2O3S/c15-11-2-1-10(21-11)8-18-13(20)9-22-14(18)3-5-17(6-4-14)12(19)7-16/h1-2H,3-9H2
Definition date:	2021-04-02
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	4-[(5-bromanylfuran-2-yl)methyl]-8-(2-chloranylethanoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

U28

U28
Name:	methyl (Z)-4-(1-(3-chlorobenzyl)-4-ethylpiperidin-4-yl)-2-hydroxy-4-oxobut-2-enoate
Formula:	C19 H24 Cl N O4
SMILES:	CCC1(CCN(CC1)Cc2cccc(Cl)c2)C(=O)C=C(O)C(=O)OC
InChi:	InChI=1S/C19H24ClNO4/c1-3-19(17(23)12-16(22)18(24)25-2)7-9-21(10-8-19)13-14-5-4-6-15(20)11-14/h4-6,11-12,22H,3,7-10,13H2,1-2H3/b16-12-
Definition date:	2021-06-01
Last modified:	2022-02-11
Release date:	2022-02-16
Identifier:	methyl (~{Z})-4-[1-[(3-chlorophenyl)methyl]-4-ethyl-piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate

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