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V2Q

V2Q
Name:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	COC1CN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3
Definition date:	2021-04-08
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde

V2T

V2T
Name:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide
Formula:	C12 H11 N3 O2
SMILES:	Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1
InChi:	InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17)
Definition date:	2021-04-08
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide

V2W

V2W
Name:	4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide
Formula:	C16 H15 N O3
SMILES:	COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1
InChi:	InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19)
Definition date:	2021-04-08
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide

V32

V32
Name:	4-morpholin-4-ylcarbonylbenzaldehyde
Formula:	C12 H13 N O3
SMILES:	O=Cc1ccc(cc1)C(=O)N2CCOCC2
InChi:	InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2
Definition date:	2021-04-08
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-morpholin-4-ylcarbonylbenzaldehyde

V3B

V3B
Name:	4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide
Formula:	C15 H19 N3 O3
SMILES:	CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C15H19N3O3/c1-16(2)15(21)18-9-7-17(8-10-18)14(20)13-5-3-12(11-19)4-6-13/h3-6,11H,7-10H2,1-2H3
Definition date:	2021-04-08
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide

V3K

V3K
Name:	4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide
Formula:	C13 H13 N3 O2
SMILES:	Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1
InChi:	InChI=1S/C13H13N3O2/c1-16-8-11(7-15-16)6-14-13(18)12-4-2-10(9-17)3-5-12/h2-5,7-9H,6H2,1H3,(H,14,18)
Definition date:	2021-04-09
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide

V3N

V3N
Name:	4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide
Formula:	C14 H17 N O3
SMILES:	O=Cc1ccc(cc1)C(=O)NCC2CCOCC2
InChi:	InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17)
Definition date:	2021-04-09
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide

V3Q

V3Q
Name:	4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide
Formula:	C16 H15 N O3
SMILES:	COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1
InChi:	InChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19)
Definition date:	2021-04-09
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide

V3T

V3T
Name:	4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide
Formula:	C13 H13 N3 O2
SMILES:	Cn1ccnc1CNC(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18)
Definition date:	2021-04-09
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide

V3W

V3W
Name:	4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde
Formula:	C14 H17 N O3
SMILES:	COC1CCN(CC1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C14H17NO3/c1-18-13-6-8-15(9-7-13)14(17)12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3
Definition date:	2021-04-09
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde

V3Z

V3Z
Name:	(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate
Formula:	C10 H11 N O6 S
SMILES:	CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O
InChi:	InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3
Definition date:	2021-04-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(5-methanoyl-2-nitro-phenyl) propane-2-sulfonate

V42

V42
Name:	(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate
Formula:	C11 H9 N3 O6 S
SMILES:	Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O
InChi:	InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3
Definition date:	2021-04-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate

V48

V48
Name:	(5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate
Formula:	C16 H13 N O6
SMILES:	COc1cccc(CC(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)c1
InChi:	InChI=1S/C16H13NO6/c1-22-13-4-2-3-11(7-13)9-16(19)23-15-8-12(10-18)5-6-14(15)17(20)21/h2-8,10H,9H2,1H3
Definition date:	2021-04-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate

V4B

V4B
Name:	[5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
Formula:	C15 H9 F3 N2 O5
SMILES:	Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F
InChi:	InChI=1S/C15H9F3N2O5/c1-8-10(3-5-13(19-8)15(16,17)18)14(22)25-12-6-9(7-21)2-4-11(12)20(23)24/h2-7H,1H3
Definition date:	2021-04-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(5-methanoyl-2-nitro-phenyl) 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

V4H

V4H
Name:	4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde
Formula:	C13 H15 N O3
SMILES:	O[CH]1CCCN(C1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C13H15NO3/c15-9-10-3-5-11(6-4-10)13(17)14-7-1-2-12(16)8-14/h3-6,9,12,16H,1-2,7-8H2/t12-/m1/s1
Definition date:	2021-04-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[(3~{R})-3-oxidanylpiperidin-1-yl]carbonylbenzaldehyde

V4K

V4K
Name:	4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde
Formula:	C15 H19 N O3
SMILES:	OCCC1CCN(CC1)C(=O)c2ccc(C=O)cc2
InChi:	InChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2
Definition date:	2021-04-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde

V4N

V4N
Name:	(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate
Formula:	C14 H8 Cl N O5
SMILES:	[O-][N+](=O)c1ccc(C=O)cc1OC(=O)c2cccc(Cl)c2
InChi:	InChI=1S/C14H8ClNO5/c15-11-3-1-2-10(7-11)14(18)21-13-6-9(8-17)4-5-12(13)16(19)20/h1-8H
Definition date:	2021-04-12
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(5-methanoyl-2-nitro-phenyl) 3-chloranylbenzoate

WMA

WMA
Name:	(3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione
Formula:	C15 H17 N3 O2
SMILES:	n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2
InChi:	InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1
Definition date:	2020-06-05
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione

X5M

X5M
Name:	(4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one
Formula:	C15 H21 N4 O3
SMILES:	CCN(CC)c1ccc(cc1[N](O)=O)C2=NNC(=O)C[CH]2C
InChi:	InChI=1S/C15H21N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,21,22)/t10-/m1/s1
Definition date:	2020-12-01
Last modified:	2021-06-04
Release date:	2021-06-09
Identifier:	(4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one

ZNM

ZNM
Name:	3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
Formula:	C27 H31 F5 N4 O
SMILES:	FCCCN1CC(C1)Nc1cc(F)c(c(F)c1)C1c2[NH]c3ccccc3c2CC(C)N1CC(F)(F)CO
InChi:	InChI=1S/C27H31F5N4O/c1-16-9-20-19-5-2-3-6-23(19)34-25(20)26(36(16)14-27(31,32)15-37)24-21(29)10-17(11-22(24)30)33-18-12-35(13-18)8-4-7-28/h2-3,5-6,10-11,16,18,26,33-34,37H,4,7-9,12-15H2,1H3/t16-,26-/m1/s1
Definition date:	2021-05-11
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol

XQ7

XQ7
Name:	(1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol
Formula:	C16 H23 F2 N O2
SMILES:	FC1(CCC(CC1)COc2cccc(c2)C(O)CCN)F
InChi:	InChI=1S/C16H23F2NO2/c17-16(18)7-4-12(5-8-16)11-21-14-3-1-2-13(10-14)15(20)6-9-19/h1-3,10,12,15,20H,4-9,11,19H2/t15-/m1/s1
Synonyms:	gem-difluoro-(R)-emixustat
Definition date:	2020-12-30
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	(1R)-3-amino-1-{3-[(4,4-difluorocyclohexyl)methoxy]phenyl}propan-1-ol

R7Y

R7Y
Name:	(1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycycloh exyl 3-amino-3-deoxy-alpha-D-glucopyranoside
Formula:	C20 H39 N5 O10
SMILES:	CC(=O)NC1CC(C(OC1OC2C(N)CC(C(C2O)OC3OC(CO)C(O)C(C3O)N)N)CN)O
InChi:	InChI=1S/C20H39N5O10/c1-6(27)25-9-3-10(28)11(4-21)32-19(9)34-17-7(22)2-8(23)18(16(17)31)35-20-15(30)13(24)14(29)12(5-26)33-20/h7-20,26,28-31H,2-5,21-24H2,1H3,(H,25,27)/t7-,8+,9+,10-,11+,12+,13-,14+,15+,16-,17+,18-,19+,20+/m0/s1
Synonyms:	acetylated-tobramycin
Definition date:	2020-02-07
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	(1S,2S,3R,4S,6R)-3-{[2-(acetylamino)-6-amino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyl]oxy}-4,6-diamino-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside

R85

R85
Name:	5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine
Formula:	C30 H38 Cl N8 O2 P
SMILES:	COc1cc(N2CCC(CC2)N(C)C)c(cc1Nc3ncc(Cl)c(Nc4ccccc4[P](C)(C)=O)n3)c5cnn(C)c5
InChi:	InChI=1S/C30H38ClN8O2P/c1-37(2)21-11-13-39(14-12-21)26-16-27(41-4)25(15-22(26)20-17-33-38(3)19-20)35-30-32-18-23(31)29(36-30)34-24-9-7-8-10-28(24)42(5,6)40/h7-10,15-19,21H,11-14H2,1-6H3,(H2,32,34,35,36)
Definition date:	2020-09-17
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine

N98

N98
Name:	methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate
Formula:	C21 H15 N3 O4
SMILES:	COC(=O)c1cc(nc2cc(nn12)c3ccccc3)c4ccc5OCOc5c4
InChi:	InChI=1S/C21H15N3O4/c1-26-21(25)17-10-15(14-7-8-18-19(9-14)28-12-27-18)22-20-11-16(23-24(17)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3
Definition date:	2019-11-18
Last modified:	2021-05-28
Release date:	2021-06-02
Identifier:	methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate

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

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