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VIX

VIX
Name:	(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid
Formula:	C12 H14 Cl N O3
SMILES:	OC(=O)C(N1CCOCC1)c1ccc(Cl)cc1
InChi:	InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)/t11-/m1/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2R)-(4-chlorophenyl)(morpholin-4-yl)acetic acid

VY6

VY6
Name:	2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid
Formula:	C10 H13 N O4
SMILES:	O=C(O)c1ccoc1CN1CCOCC1
InChi:	InChI=1S/C10H13NO4/c12-10(13)8-1-4-15-9(8)7-11-2-5-14-6-3-11/h1,4H,2-3,5-7H2,(H,12,13)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	2-[(morpholin-4-yl)methyl]furan-3-carboxylic acid

V3F

V3F
Name:	(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
Formula:	C10 H10 N2 O2
SMILES:	CC1(NC(=O)NC1=O)c1ccccc1
InChi:	InChI=1S/C10H10N2O2/c1-10(7-5-3-2-4-6-7)8(13)11-9(14)12-10/h2-6H,1H3,(H2,11,12,13,14)/t10-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(5S)-5-methyl-5-phenylimidazolidine-2,4-dione

VJ9

VJ9
Name:	ethyl 4-fluoro-3-nitrobenzoate
Formula:	C9 H8 F N O4
SMILES:	Fc1ccc(cc1N(=O)=O)C(=O)OCC
InChi:	InChI=1S/C9H8FNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	ethyl 4-fluoro-3-nitrobenzoate

VYK

VYK
Name:	N~2~-[(3-chlorophenyl)methyl]-N~2~-methylglycinamide
Formula:	C10 H13 Cl N2 O
SMILES:	Clc1cc(CN(C)CC(N)=O)ccc1
InChi:	InChI=1S/C10H13ClN2O/c1-13(7-10(12)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H2,12,14)
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N~2~-[(3-chlorophenyl)methyl]-N~2~-methylglycinamide

V40

V40
Name:	(2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol
Formula:	C12 H24 N2 O
SMILES:	NCC1CCCCC1CN1CCCC1O
InChi:	InChI=1S/C12H24N2O/c13-8-10-4-1-2-5-11(10)9-14-7-3-6-12(14)15/h10-12,15H,1-9,13H2/t10-,11-,12-/m0/s1
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-1-{[(1R,2R)-2-(aminomethyl)cyclohexyl]methyl}pyrrolidin-2-ol

VYU

VYU
Name:	4-(4-ethylpiperazin-1-yl)aniline
Formula:	C12 H19 N3
SMILES:	CCN1CCN(CC1)c1ccc(N)cc1
InChi:	InChI=1S/C12H19N3/c1-2-14-7-9-15(10-8-14)12-5-3-11(13)4-6-12/h3-6H,2,7-10,13H2,1H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	4-(4-ethylpiperazin-1-yl)aniline

VZ3

VZ3
Name:	3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide
Formula:	C8 H10 Br N O3 S
SMILES:	COc1ccc(cc1Br)S(=O)(=O)NC
InChi:	InChI=1S/C8H10BrNO3S/c1-10-14(11,12)6-3-4-8(13-2)7(9)5-6/h3-5,10H,1-2H3
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide

7ZZ

7ZZ
Name:	2-chloro-9-(3-(2,2-difluoroethoxy)-5-(difluoromethoxy)benzyl)-9H-purin-6-amine
Formula:	C15 H12 Cl F4 N5 O2
SMILES:	Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)cc(OC(F)F)c3)cnc12
InChi:	InChI=1S/C15H12ClF4N5O2/c16-14-23-12(21)11-13(24-14)25(6-22-11)4-7-1-8(26-5-10(17)18)3-9(2-7)27-15(19)20/h1-3,6,10,15H,4-5H2,(H2,21,23,24)
Definition date:	2021-11-08
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	9-[[3-[2,2-bis(fluoranyl)ethoxy]-5-[bis(fluoranyl)methoxy]phenyl]methyl]-2-chloranyl-purin-6-amine

807

807
Name:	2-chloro-9-(3-(2,2-difluoroethoxy)-5-isopropoxybenzyl)-9H-purin-6-amine
Formula:	C17 H18 Cl F2 N5 O2
SMILES:	CC(C)Oc1cc(Cn2cnc3c(N)nc(Cl)nc23)cc(OCC(F)F)c1
InChi:	InChI=1S/C17H18ClF2N5O2/c1-9(2)27-12-4-10(3-11(5-12)26-7-13(19)20)6-25-8-22-14-15(21)23-17(18)24-16(14)25/h3-5,8-9,13H,6-7H2,1-2H3,(H2,21,23,24)
Definition date:	2021-11-08
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	9-[[3-[2,2-bis(fluoranyl)ethoxy]-5-propan-2-yloxy-phenyl]methyl]-2-chloranyl-purin-6-amine

80D

80D
Name:	2-chloro-9-(3-(2,2-difluoroethoxy)-5-(pyridin-4-yl)benzyl)-9H-purin-6-amine
Formula:	C19 H15 Cl F2 N6 O
SMILES:	Nc1nc(Cl)nc2n(Cc3cc(OCC(F)F)cc(c3)c4ccncc4)cnc12
InChi:	InChI=1S/C19H15ClF2N6O/c20-19-26-17(23)16-18(27-19)28(10-25-16)8-11-5-13(12-1-3-24-4-2-12)7-14(6-11)29-9-15(21)22/h1-7,10,15H,8-9H2,(H2,23,26,27)
Definition date:	2021-11-08
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	9-[[3-[2,2-bis(fluoranyl)ethoxy]-5-pyridin-4-yl-phenyl]methyl]-2-chloranyl-purin-6-amine

QD8

QD8
Name:	(S)-3-butyl-2-oxopentanedioic acid
Formula:	C9 H14 O5
SMILES:	CCCC[CH](CC(O)=O)C(=O)C(O)=O
InChi:	InChI=1S/C9H14O5/c1-2-3-4-6(5-7(10)11)8(12)9(13)14/h6H,2-5H2,1H3,(H,10,11)(H,13,14)/t6-/m0/s1
Synonyms:	(3~{S})-3-butyl-2-oxidanylidene-pentanedioic acid
Definition date:	2022-10-25
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3~{S})-3-butyl-2-oxidanylidene-pentanedioic acid

QDC

QDC
Name:	(R)-3-butyl-2-oxopentanedioic acid
Formula:	C9 H14 O5
SMILES:	CCCC[CH](CC(O)=O)C(=O)C(O)=O
InChi:	InChI=1S/C9H14O5/c1-2-3-4-6(5-7(10)11)8(12)9(13)14/h6H,2-5H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1
Synonyms:	(3~{R})-3-butyl-2-oxidanylidene-pentanedioic acid
Definition date:	2022-10-25
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(3~{R})-3-butyl-2-oxidanylidene-pentanedioic acid

R7X

R7X
Name:	1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide
Formula:	C20 H20 Br N3 O3
SMILES:	O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(c1)C(C)=O
InChi:	InChI=1S/C20H20BrN3O3/c1-13(25)15-6-2-5-14(11-15)12-19(26)24-10-4-7-16(24)20(27)23-18-9-3-8-17(21)22-18/h2-3,5-6,8-9,11,16H,4,7,10,12H2,1H3,(H,22,23,27)/t16-/m0/s1
Definition date:	2022-06-22
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	1-[(3-acetylphenyl)acetyl]-N-(6-bromopyridin-2-yl)-L-prolinamide

QDX

QDX
Name:	(2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid
Formula:	C37 H40 N8 O10
SMILES:	NC=1NC2C(N=C(N)N3CCC(O)(O)C23N=1)COC(=O)NCCCCCCNC(=O)c1cc(C=2c3ccc(O)cc3OC3=CC(=O)C=CC=23)c(cc1)C(=O)O
InChi:	InChI=1S/C37H40N8O10/c38-33-43-30-26(42-34(39)45-14-11-36(52,53)37(30,45)44-33)18-54-35(51)41-13-4-2-1-3-12-40-31(48)19-5-8-22(32(49)50)25(15-19)29-23-9-6-20(46)16-27(23)55-28-17-21(47)7-10-24(28)29/h5-10,15-17,26,30,46,52-53H,1-4,11-14,18H2,(H2,39,42)(H,40,48)(H,41,51)(H,49,50)(H3,38,43,44)/t26-,30-,37-/m0/s1
Definition date:	2022-06-07
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2P)-4-({6-[({[(3aS,4R,7R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methoxy}carbonyl)amino]hexyl}carbamoyl)-2-{[4aP,9(9a)P]-6-hydroxy-3-oxo-3H-xanthen-9-yl}benzoic acid

KQI

KQI
Name:	6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide
Formula:	C19 H27 N5 O4
SMILES:	C[CH](O)[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:	InChI=1S/C19H27N5O4/c1-14(26)17(13-25)23-19(28)16(12-15-8-4-2-5-9-15)22-18(27)10-6-3-7-11-21-24-20/h2,4-5,8-9,13-14,16-17,26H,3,6-7,10-12H2,1H3,(H,22,27)(H,23,28)/t14-,16+,17-/m1/s1
Synonyms:	Beta-lactone antibacterial agent (open form)
Definition date:	2022-06-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide

KQN

KQN
Name:	6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide
Formula:	C13 H23 N5 O4
SMILES:	C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[N+]=[N-])C=O
InChi:	InChI=1S/C13H23N5O4/c1-9(13(22)17-11(8-19)10(2)20)16-12(21)6-4-3-5-7-15-18-14/h8-11,20H,3-7H2,1-2H3,(H,16,21)(H,17,22)/t9-,10+,11+/m0/s1
Synonyms:	Beta-lactone antibacterial agent (open form)
Definition date:	2022-06-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	6-azido-~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide

QIE

QIE
Name:	N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
Formula:	C19 H17 Br N4 O2
SMILES:	O=C(Nc1cccc(Br)n1)C1CCCN1C(=O)Cc1cccc(C#N)c1
InChi:	InChI=1S/C19H17BrN4O2/c20-16-7-2-8-17(22-16)23-19(26)15-6-3-9-24(15)18(25)11-13-4-1-5-14(10-13)12-21/h1-2,4-5,7-8,10,15H,3,6,9,11H2,(H,22,23,26)/t15-/m0/s1
Definition date:	2022-06-10
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide

M6X

M6X
Name:	N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide
Formula:	C19 H20 N2 O6
SMILES:	ONC(=O)CCN(Cc1ccc2OCOc2c1)Cc1ccc2OCOc2c1
InChi:	InChI=1S/C19H20N2O6/c22-19(20-23)5-6-21(9-13-1-3-15-17(7-13)26-11-24-15)10-14-2-4-16-18(8-14)27-12-25-16/h1-4,7-8,23H,5-6,9-12H2,(H,20,22)
Definition date:	2022-03-14
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide

M9I

M9I
Name:	N-(alpha-L-Fucopyranosyl)benzamide
Formula:	C13 H17 N O5
SMILES:	C[CH]1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C13H17NO5/c1-7-9(15)10(16)11(17)13(19-7)14-12(18)8-5-3-2-4-6-8/h2-7,9-11,13,15-17H,1H3,(H,14,18)/t7-,9+,10+,11-,13+/m0/s1
Synonyms:	~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide
Definition date:	2022-07-26
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide

9XL

9XL
Name:	(2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid
Formula:	C26 H29 Cl N6 O5
SMILES:	NC(=O)c1cccc(c1)C#CCN(CCC(N)C(=O)O)CC1CC(C(O)C1O)n1ccc2c1ncnc2Cl
InChi:	InChI=1S/C26H29ClN6O5/c27-23-18-6-10-33(25(18)31-14-30-23)20-12-17(21(34)22(20)35)13-32(9-7-19(28)26(37)38)8-2-4-15-3-1-5-16(11-15)24(29)36/h1,3,5-6,10-11,14,17,19-22,34-35H,7-9,12-13,28H2,(H2,29,36)(H,37,38)/t17-,19+,20-,21-,22+/m1/s1
Definition date:	2021-11-01
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid

7XI

7XI
Name:	2-chloro-9-(3-(2,2-difluoroethoxy)benzyl)-9H-purin-6-amine
Formula:	C14 H12 Cl F2 N5 O
SMILES:	Nc1nc(Cl)nc2n(Cc3cccc(OCC(F)F)c3)cnc12
InChi:	InChI=1S/C14H12ClF2N5O/c15-14-20-12(18)11-13(21-14)22(7-19-11)5-8-2-1-3-9(4-8)23-6-10(16)17/h1-4,7,10H,5-6H2,(H2,18,20,21)
Definition date:	2021-11-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	9-[[3-[2,2-bis(fluoranyl)ethoxy]phenyl]methyl]-2-chloranyl-purin-6-amine

7Y5

7Y5
Name:	Selatogrel
Formula:	C28 H39 N6 O8 P
SMILES:	CCCCOC(=O)N1CCN(CC1)C(=O)[CH](C[P](O)(O)=O)NC(=O)c2cc(nc(n2)c3ccccc3)N4CC[CH](C4)OC
InChi:	InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1
Synonyms:	[(2~{R})-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3~{S})-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic acid
Definition date:	2021-09-14
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	[(2~{R})-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3~{S})-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic acid

98O

98O
Name:	(2S,4S)-N-((3R,5R)-5-((2-chloro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:	C34 H39 Cl F N5 O4
SMILES:	F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3ccc(cc3Cl)C#Cc4ccc(CN5CCOCC5)cc4)N(C2)C(=O)C6CC6
InChi:	InChI=1S/C34H39ClFN5O4/c35-30-15-23(4-1-22-2-5-24(6-3-22)20-40-11-13-45-14-12-40)7-10-29(30)32(42)38-19-28-17-27(21-41(28)34(44)25-8-9-25)39-33(43)31-16-26(36)18-37-31/h2-3,5-7,10,15,25-28,31,37H,8-9,11-14,16-21H2,(H,38,42)(H,39,43)/t26-,27+,28+,31-/m0/s1
Synonyms:	(2S,4S)-N-[(3R,5R)-5-[[[2-chloranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]-1-cyclopropylcarbonyl-pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Definition date:	2021-11-11
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-5-[[[2-chloranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]-1-cyclopropylcarbonyl-pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

99I

99I
Name:	(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:	C34 H39 F2 N5 O4
SMILES:	F[CH]1CN[CH](C1)C(=O)N[CH]2C[CH](CNC(=O)c3ccc(C#Cc4ccc(CN5CCOCC5)cc4)c(F)c3)N(C2)C(=O)C6CC6
InChi:	InChI=1S/C34H39F2N5O4/c35-27-16-31(37-18-27)33(43)39-28-17-29(41(21-28)34(44)25-8-9-25)19-38-32(42)26-10-7-24(30(36)15-26)6-5-22-1-3-23(4-2-22)20-40-11-13-45-14-12-40/h1-4,7,10,15,25,27-29,31,37H,8-9,11-14,16-21H2,(H,38,42)(H,39,43)/t27-,28+,29+,31-/m0/s1
Synonyms:	(2S,4S)-N-[(3R,5R)-1-cyclopropylcarbonyl-5-[[[3-fluoranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
Definition date:	2021-11-11
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[3-fluoranyl-4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide

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