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RN9

RN9
Name:	3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide
Formula:	C25 H23 Cl N4 O5
SMILES:	Cc1ccc(NC(=O)CCc2cccc(NC3=CC(=O)N([CH]4CCC(=O)NC4=O)C3=O)c2)cc1Cl
InChi:	InChI=1S/C25H23ClN4O5/c1-14-5-7-17(12-18(14)26)28-21(31)9-6-15-3-2-4-16(11-15)27-19-13-23(33)30(25(19)35)20-8-10-22(32)29-24(20)34/h2-5,7,11-13,20,27H,6,8-10H2,1H3,(H,28,31)(H,29,32,34)/t20-/m0/s1
Definition date:	2021-02-12
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide

RQ2

RQ2
Name:	Ganciclovir triphosphate
Formula:	C9 H16 N5 O13 P3
SMILES:	NC1=Nc2n(CO[CH](CO)CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)cnc2C(=O)N1
InChi:	InChI=1S/C9H16N5O13P3/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-24-5(1-15)2-25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5,15H,1-2,4H2,(H,20,21)(H,22,23)(H2,17,18,19)(H3,10,12,13,16)/t5-/m1/s1
Synonyms:	[[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate
Definition date:	2020-10-15
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	[[(2~{R})-2-[(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)methoxy]-3-oxidanyl-propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate

RTW

RTW
Name:	2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione
Formula:	C18 H21 N5 O S
SMILES:	COc1ccccc1c2nc3C(=S)N=C(N)Nc3n2C4CCCCC4
InChi:	InChI=1S/C18H21N5OS/c1-24-13-10-6-5-9-12(13)15-20-14-16(21-18(19)22-17(14)25)23(15)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H3,19,21,22,25)
Synonyms:	TH8321
Definition date:	2020-10-20
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	2-azanyl-9-cyclohexyl-8-(2-methoxyphenyl)-3~{H}-purine-6-thione

H8S

H8S
Name:	N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Formula:	C28 H42 N4 O3 S
SMILES:	C(c1ccc3c(c1)sc(CC(NC(=O)CC)C(NC(C2CCCCC2)CNC(=O)C(C)C)=O)n3)(C)C
InChi:	InChI=1S/C28H42N4O3S/c1-6-25(33)30-22(15-26-31-21-13-12-20(17(2)3)14-24(21)36-26)28(35)32-23(16-29-27(34)18(4)5)19-10-8-7-9-11-19/h12-14,17-19,22-23H,6-11,15-16H2,1-5H3,(H,29,34)(H,30,33)(H,32,35)/t22-,23+/m0/s1
Definition date:	2018-06-15
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide

H8V

H8V
Name:	(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide
Formula:	C33 H51 N5 O4 S
SMILES:	CC(c3ccc4nc(CC(NC(=O)CC)C(NC(C1CCCCC1)CNC(=O)C(CCN2CCOCC2)C)=O)sc4c3)C
InChi:	InChI=1S/C33H51N5O4S/c1-5-30(39)35-27(20-31-36-26-12-11-25(22(2)3)19-29(26)43-31)33(41)37-28(24-9-7-6-8-10-24)21-34-32(40)23(4)13-14-38-15-17-42-18-16-38/h11-12,19,22-24,27-28H,5-10,13-18,20-21H2,1-4H3,(H,34,40)(H,35,39)(H,37,41)/t23-,27+,28-/m1/s1
Definition date:	2018-06-15
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	(2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide

H9M

H9M
Name:	(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide
Formula:	C31 H49 N5 O3 S
SMILES:	s1c(nc2c1cc(cc2)C(C)C)CC(C(=O)NC(C3CCCCC3)CNC(=O)C(CCN(C)C)C)NC(=O)CC
InChi:	InChI=1S/C31H49N5O3S/c1-7-28(37)33-25(18-29-34-24-14-13-23(20(2)3)17-27(24)40-29)31(39)35-26(22-11-9-8-10-12-22)19-32-30(38)21(4)15-16-36(5)6/h13-14,17,20-22,25-26H,7-12,15-16,18-19H2,1-6H3,(H,32,38)(H,33,37)(H,35,39)/t21-,25-,26+/m0/s1
Definition date:	2018-06-18
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	(2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide

H9P

H9P
Name:	N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide
Formula:	C31 H44 N6 O3 S
SMILES:	O=C(C(NC(CC)=O)Cc1nc2c(s1)cc(cc2)C(C)C)NC(C3CCCCC3)CNC(C(C)Cn4cncc4)=O
InChi:	InChI=1S/C31H44N6O3S/c1-5-28(38)34-25(16-29-35-24-12-11-23(20(2)3)15-27(24)41-29)31(40)36-26(22-9-7-6-8-10-22)17-33-30(39)21(4)18-37-14-13-32-19-37/h11-15,19-22,25-26H,5-10,16-18H2,1-4H3,(H,33,39)(H,34,38)(H,36,40)/t21-,25-,26+/m0/s1
Definition date:	2018-06-18
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide

H9S

H9S
Name:	(2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide
Formula:	C32 H47 N5 O4 S
SMILES:	C(C)(C)c1ccc2c(c1)sc(n2)CC(C(=O)NC(CNC(=O)[C@H]=CCN3CCOCC3)C4CCCCC4)NC(CC)=O
InChi:	InChI=1S/C32H47N5O4S/c1-4-29(38)34-26(20-31-35-25-13-12-24(22(2)3)19-28(25)42-31)32(40)36-27(23-9-6-5-7-10-23)21-33-30(39)11-8-14-37-15-17-41-18-16-37/h8,11-13,19,22-23,26-27H,4-7,9-10,14-18,20-21H2,1-3H3,(H,33,39)(H,34,38)(H,36,40)/b11-8+/t26-,27+/m0/s1
Definition date:	2018-06-18
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	(2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide

IJE

IJE
Name:	{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid
Formula:	C17 H24 N3 O5 P
SMILES:	OP(O)(CCC1CCN(CC1)c3c2cc(c(cc2ncn3)OC)OC)=O
InChi:	InChI=1S/C17H24N3O5P/c1-24-15-9-13-14(10-16(15)25-2)18-11-19-17(13)20-6-3-12(4-7-20)5-8-26(21,22)23/h9-12H,3-8H2,1-2H3,(H2,21,22,23)
Definition date:	2020-06-29
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	{2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl}phosphonic acid

UY1

UY1
Name:	2'-O-methylpseudouridine-5'-monophosphate
Formula:	C10 H15 N2 O9 P
SMILES:	C1(C(OC)C(O)C(O1)COP(=O)(O)O)C2C(=O)NC(N=C2)=O
InChi:	InChI=1S/C10H15N2O9P/c1-19-8-6(13)5(3-20-22(16,17)18)21-7(8)4-2-11-10(15)12-9(4)14/h2,5-8,13H,3H2,1H3,(H2,16,17,18)(H2,11,12,14,15)/t5-,6-,7+,8-/m1/s1
Definition date:	2020-06-04
Last modified:	2021-05-27
Release date:	2020-10-07
Identifier:	(1S)-1,4-anhydro-1-[(5S)-2,6-dioxo-1,2,5,6-tetrahydropyrimidin-5-yl]-2-O-methyl-5-O-phosphono-D-ribitol

3PE

3PE
Name:	1,2-Distearoyl-sn-glycerophosphoethanolamine
Formula:	C41 H82 N O8 P
SMILES:	NCCOP(O)(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1
Synonyms:	3-SN-PHOSPHATIDYLETHANOLAMINE
Definition date:	2003-07-09
Last modified:	2021-05-26
Identifier:	(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(octadecanoyloxy)propyl octadecanoate

VDW

VDW
Name:	[(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium
Formula:	C10 H18 N3 O6 S
SMILES:	[NH3+][CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
InChi:	InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/p+1/t5-,6-/m0/s1
Definition date:	2021-05-07
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	[(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium

UKJ

UKJ
Name:	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
Formula:	C13 H7 Br F3 N O5 S
SMILES:	[O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc(Br)cc(c2)F)=O
InChi:	InChI=1S/C13H7BrF3NO5S/c14-7-3-8(15)5-9(4-7)23-12-2-1-10(6-11(12)18(19)20)24(21,22)13(16)17/h1-6,13H
Definition date:	2020-05-20
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene

ULD

ULD
Name:	cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile
Formula:	C15 H12 F5 N O4 S
SMILES:	N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)(=O)C(F)(F)F
InChi:	InChI=1S/C15H12F5NO4S/c16-14(17)5-9-10(25-8-3-7(4-8)6-21)1-2-11(12(9)13(14)22)26(23,24)15(18,19)20/h1-2,7-8,13,22H,3-5H2/t7-,8+,13-/m0/s1
Definition date:	2020-05-21
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	cis-3-({(1S)-2,2-difluoro-1-hydroxy-7-[(trifluoromethyl)sulfonyl]-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile

ULG

ULG
Name:	(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
Formula:	C16 H11 F5 O2
SMILES:	FC(F)(F)c1ccc(c2c1C(O)CC2)Oc3cc(F)cc(c3)F
InChi:	InChI=1S/C16H11F5O2/c17-8-5-9(18)7-10(6-8)23-14-4-2-12(16(19,20)21)15-11(14)1-3-13(15)22/h2,4-7,13,22H,1,3H2/t13-/m1/s1
Definition date:	2020-05-21
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

ULM

ULM
Name:	(6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol
Formula:	C13 H11 F6 N O2
SMILES:	c1(cnc(c2c1CC(C2O)F)C(F)(F)F)OC3CC(C3)(F)F
InChi:	InChI=1S/C13H11F6NO2/c14-7-1-6-8(22-5-2-12(15,16)3-5)4-20-11(13(17,18)19)9(6)10(7)21/h4-5,7,10,21H,1-3H2/t7-,10-/m1/s1
Definition date:	2020-05-22
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol

ULS

ULS
Name:	3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
Formula:	C16 H10 F4 N2 O2
SMILES:	N#Cc1cc(cc(c1)Oc2cnc(c3c2CCC3O)C(F)(F)F)F
InChi:	InChI=1S/C16H10F4N2O2/c17-9-3-8(6-21)4-10(5-9)24-13-7-22-15(16(18,19)20)14-11(13)1-2-12(14)23/h3-5,7,12,23H,1-2H2/t12-/m1/s1
Definition date:	2020-05-22
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile

VH4

VH4
Name:	1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
Formula:	C22 H29 F N4 O2
SMILES:	C1C(CCC(C(C)(O)C)C1)NC(=O)N2CCc3c(C2)cnn3c4cccc(c4)F
InChi:	InChI=1S/C22H29FN4O2/c1-22(2,29)16-6-8-18(9-7-16)25-21(28)26-11-10-20-15(14-26)13-24-27(20)19-5-3-4-17(23)12-19/h3-5,12-13,16,18,29H,6-11,14H2,1-2H3,(H,25,28)/t16-,18-
Definition date:	2020-08-12
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

VH7

VH7
Name:	N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
Formula:	C23 H27 N3 O2
SMILES:	C1C(CCC(C(C)(O)C)C1)NC(=O)c4ccc2n(cc(n2)c3ccccc3)c4
InChi:	InChI=1S/C23H27N3O2/c1-23(2,28)18-9-11-19(12-10-18)24-22(27)17-8-13-21-25-20(15-26(21)14-17)16-6-4-3-5-7-16/h3-8,13-15,18-19,28H,9-12H2,1-2H3,(H,24,27)/t18-,19-
Definition date:	2020-08-12
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

V5J

V5J
Name:	3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide
Formula:	C26 H22 F N5 O2
SMILES:	c2(F)c(NC(c1cccc(c1)C(C)(C)C#N)=O)cc(c(C)c2)c3cnc4c(c3)C=NN(C4=O)C
InChi:	InChI=1S/C26H22FN5O2/c1-15-8-21(27)22(31-24(33)16-6-5-7-19(10-16)26(2,3)14-28)11-20(15)17-9-18-13-30-32(4)25(34)23(18)29-12-17/h5-13H,1-4H3,(H,31,33)
Definition date:	2020-06-29
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide

ZG7

ZG7
Name:	(8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula:	C22 H14 Br Cl N4 O2
SMILES:	Clc1ccc(cc1)C1(CC1)c1nn2c(O)c(cnc2c1C#N)Oc1cccc(Br)c1
InChi:	InChI=1S/C22H14BrClN4O2/c23-14-2-1-3-16(10-14)30-18-12-26-20-17(11-25)19(27-28(20)21(18)29)22(8-9-22)13-4-6-15(24)7-5-13/h1-7,10,12,29H,8-9H2
Definition date:	2021-04-19
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile

ZXX

ZXX
Name:	methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate
Formula:	C22 H32 N4 O6
SMILES:	O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(C)=O)C(C)C
InChi:	InChI=1S/C22H32N4O6/c1-13(2)19(23-14(3)27)20(29)24-18(12-15-7-5-8-16(28)11-15)21(30)26-10-6-9-17(25-26)22(31)32-4/h5,7-8,11,13,17-19,25,28H,6,9-10,12H2,1-4H3,(H,23,27)(H,24,29)/t17-,18-,19-/m0/s1
Definition date:	2020-05-22
Last modified:	2021-05-21
Release date:	2020-06-24
Identifier:	methyl (3S)-1-(N-acetyl-L-valyl-3-hydroxy-L-phenylalanyl)-1,2-diazinane-3-carboxylate

UDJ

UDJ
Name:	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one
Formula:	C24 H31 N O
SMILES:	c1ccncc1C=4C3(CCC5C2(CCC(=O)CC2CCC5C3CC=4)C)C
InChi:	InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7,13,15,17,19,21-22H,5-6,8-12,14H2,1-2H3/t17-,19-,21-,22-,23-,24+/m0/s1
Definition date:	2020-05-08
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one

YEY

YEY
Name:	2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
Formula:	C12 H11 N O2
SMILES:	c1c(ccc2c1OCCO2)c3cccn3
InChi:	InChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2
Definition date:	2021-02-24
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole

VMM

VMM
Name:	ETX0462 (Bound form)
Formula:	C10 H16 N6 O7 S
SMILES:	c12cnn(C)c1C(C(NC)=NO)N(C(=O)O)CC2NOS(=O)(O)=O
InChi:	InChI=1S/C10H16N6O7S/c1-11-9(13-19)8-7-5(3-12-15(7)2)6(4-16(8)10(17)18)14-23-24(20,21)22/h3,6,8,14,19H,4H2,1-2H3,(H,11,13)(H,17,18)(H,20,21,22)/t6-,8-/m0/s1
Synonyms:	(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid
Definition date:	2020-08-27
Last modified:	2021-05-21
Release date:	2021-05-26
Identifier:	(4R,7S)-7-(N'-hydroxy-N-methylcarbamimidoyl)-1-methyl-4-[(sulfooxy)amino]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylic acid

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224931

數據於2024-09-11公開中

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