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90A

90A
Name:	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid
Formula:	C13 H25 N O7
SMILES:	C(NC(C)=O)COCCOCCOCCOCCC(O)=O
InChi:	InChI=1S/C13H25NO7/c1-12(15)14-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
Definition date:	2017-03-24
Last modified:	2024-09-27
Release date:	2017-07-26
Identifier:	2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid

90H

90H
Name:	(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C25 H38 F3 N5 O6
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(=O)NC)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C
InChi:	InChI=1S/C25H38F3N5O6/c1-23(2,3)17(32-22(39)25(26,27)28)21(38)33-10-12-14(24(12,4)5)15(33)19(36)31-13(16(34)20(37)29-6)9-11-7-8-30-18(11)35/h11-17,34H,7-10H2,1-6H3,(H,29,37)(H,30,35)(H,31,36)(H,32,39)/t11-,12-,13-,14-,15-,16+,17+/m0/s1
Definition date:	2021-10-04
Last modified:	2024-09-27
Release date:	2022-10-05
Identifier:	(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

90I

90I
Name:	benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate
Formula:	C29 H36 N4 O6
SMILES:	O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccccc4
InChi:	InChI=1S/C29H36N4O6/c34-25(28(37)31-15-13-20-8-3-1-4-9-20)23(18-22-14-16-30-26(22)35)32-27(36)24-12-7-17-33(24)29(38)39-19-21-10-5-2-6-11-21/h1-6,8-11,22-25,34H,7,12-19H2,(H,30,35)(H,31,37)(H,32,36)/t22-,23-,24-,25+/m0/s1
Synonyms:	(phenylmethyl) (2S)-2-[[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Definition date:	2021-11-10
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	(phenylmethyl) (2~{S})-2-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Q4C

Q4C
Name:	~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide
Formula:	C25 H22 Cl F3 N4 O3
SMILES:	Cc1cc(cnc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)c(F)c3)N4CCOCC4
InChi:	InChI=1S/C25H22ClF3N4O3/c1-14-8-16(33-4-6-36-7-5-33)13-30-23(14)32-25(35)17-10-18(21(28)11-19(17)26)24(34)31-12-15-2-3-20(27)22(29)9-15/h2-3,8-11,13H,4-7,12H2,1H3,(H,31,34)(H,30,32,35)
Definition date:	2022-10-13
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	~{N}1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-chloranyl-6-fluoranyl-~{N}3-(3-methyl-5-morpholin-4-yl-pyridin-2-yl)benzene-1,3-dicarboxamide

Q4F

Q4F
Name:	1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one
Formula:	C14 H17 Cl N2 O
SMILES:	CC(=O)N1CC2CC1CN2Cc1cccc(Cl)c1
InChi:	InChI=1S/C14H17ClN2O/c1-10(18)17-9-13-6-14(17)8-16(13)7-11-3-2-4-12(15)5-11/h2-5,13-14H,6-9H2,1H3/t13-,14-/m0/s1
Definition date:	2023-08-18
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one

90U

90U
Name:	benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Formula:	C24 H32 N4 O6
SMILES:	NC(=O)C(O)C(CC1CCNC1=O)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C
InChi:	InChI=1S/C24H32N4O6/c1-24(2)15-11-28(23(33)34-12-13-6-4-3-5-7-13)18(17(15)24)22(32)27-16(19(29)20(25)30)10-14-8-9-26-21(14)31/h3-7,14-19,29H,8-12H2,1-2H3,(H2,25,30)(H,26,31)(H,27,32)/t14-,15-,16-,17-,18-,19+/m0/s1
Definition date:	2021-10-04
Last modified:	2024-09-27
Release date:	2022-10-05
Identifier:	benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate

90X

90X
Name:	(S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide
Formula:	C29 H34 Cl2 N4 O6
SMILES:	O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)COc3ccc(Cl)cc3Cl)C(=O)NCCc4ccccc4
InChi:	InChI=1S/C29H34Cl2N4O6/c30-20-8-9-24(21(31)16-20)41-17-25(36)35-14-4-7-23(35)28(39)34-22(15-19-11-13-32-27(19)38)26(37)29(40)33-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,22-23,26,37H,4,7,10-15,17H2,(H,32,38)(H,33,40)(H,34,39)/t19-,22-,23-,26+/m0/s1
Synonyms:	(2S)-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide
Definition date:	2021-11-10
Last modified:	2024-09-27
Release date:	2022-11-23
Identifier:	(2~{S})-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide

91D

91D
Name:	N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide
Formula:	C26 H30 Cl F N6 O2
SMILES:	c4c1c(nc(NCCC(=O)N(C)C)nc1N2CCN(CC2)C(=O)CC)cc(c3c(F)cccc3)c4Cl
InChi:	InChI=1S/C26H30ClFN6O2/c1-4-23(35)33-11-13-34(14-12-33)25-19-15-20(27)18(17-7-5-6-8-21(17)28)16-22(19)30-26(31-25)29-10-9-24(36)32(2)3/h5-8,15-16H,4,9-14H2,1-3H3,(H,29,30,31)
Definition date:	2017-03-27
Last modified:	2024-09-27
Release date:	2017-08-23
Identifier:	N~3~-[6-chloro-7-(2-fluorophenyl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide

Q53

Q53
Name:	(R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C16 H19 N3 O5 S
SMILES:	CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C(O)=O)C(O)=O
InChi:	InChI=1S/C16H19N3O5S/c1-8-7-25-14(19-11(8)15(21)22)12(16(23)24)18-13(20)10(17)9-5-3-2-4-6-9/h2-6,10,12,14,19H,7,17H2,1H3,(H,18,20)(H,21,22)(H,23,24)/t10-,12+,14-/m1/s1
Synonyms:	cephalexin
Definition date:	2023-03-23
Last modified:	2024-09-27
Release date:	2024-05-15
Identifier:	(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

91G

91G
Name:	N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide
Formula:	C30 H33 Cl N6 O3
SMILES:	N1(CCN(CC1)C(CC)=O)c5c2c(cc(c(Cl)c2)c3cc(O)cc4c3cccc4)nc(NCCC(=O)N(C)C)n5
InChi:	InChI=1S/C30H33ClN6O3/c1-4-27(39)36-11-13-37(14-12-36)29-24-17-25(31)23(22-16-20(38)15-19-7-5-6-8-21(19)22)18-26(24)33-30(34-29)32-10-9-28(40)35(2)3/h5-8,15-18,38H,4,9-14H2,1-3H3,(H,32,33,34)
Definition date:	2017-03-27
Last modified:	2024-09-27
Release date:	2017-08-23
Identifier:	N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide

Q56

Q56
Name:	N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Formula:	C25 H33 N3 O8 S
SMILES:	CC(C)CC(NC(=O)OCc1cc2ccccc2cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:	InChI=1S/C25H33N3O8S/c1-15(2)11-20(28-25(32)36-14-16-7-8-17-5-3-4-6-18(17)12-16)23(30)27-21(24(31)37(33,34)35)13-19-9-10-26-22(19)29/h3-8,12,15,19-21,24,31H,9-11,13-14H2,1-2H3,(H,26,29)(H,27,30)(H,28,32)(H,33,34,35)/t19-,20-,21-,24-/m0/s1
Definition date:	2022-01-19
Last modified:	2024-09-27
Release date:	2022-05-04
Identifier:	(1S,2S)-1-hydroxy-2-[(N-{[(naphthalen-2-yl)methoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid

91I

91I
Name:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C25 H34 N4 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CCc1ccccc1
InChi:	InChI=1S/C25H34N4O5/c1-25(2)16-13-29(18(30)9-8-14-6-4-3-5-7-14)20(19(16)25)24(34)28-17(21(31)22(26)32)12-15-10-11-27-23(15)33/h3-7,15-17,19-21,31H,8-13H2,1-2H3,(H2,26,32)(H,27,33)(H,28,34)/t15-,16-,17-,19-,20-,21+/m0/s1
Definition date:	2021-10-04
Last modified:	2024-09-27
Release date:	2022-10-05
Identifier:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

91S

91S
Name:	(S)-1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl] piperazin-1-yl}propan-1-one
Formula:	C21 H19 Cl F2 N4 O2
SMILES:	O=C(N1CCN(CC1)c2c3c(ncn2)c(F)c(c(c3)Cl)c4c(O)cccc4F)CC
InChi:	InChI=1S/C21H19ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h3-5,10-11,29H,2,6-9H2,1H3
Definition date:	2017-03-27
Last modified:	2024-09-27
Release date:	2018-02-07
Identifier:	1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one

Q5O

Q5O
Name:	~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
Formula:	C23 H17 Cl F4 N2 O3
SMILES:	Cc1cc(OC(F)F)ccc1NC(=O)c2cc(c(F)cc2Cl)C(=O)NCc3ccc(F)cc3
InChi:	InChI=1S/C23H17ClF4N2O3/c1-12-8-15(33-23(27)28)6-7-20(12)30-22(32)16-9-17(19(26)10-18(16)24)21(31)29-11-13-2-4-14(25)5-3-13/h2-10,23H,11H2,1H3,(H,29,31)(H,30,32)
Definition date:	2022-10-14
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	~{N}3-[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]-4-chloranyl-6-fluoranyl-~{N}1-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide

91Z

91Z
Name:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
Formula:	C24 H30 F3 N5 O5
SMILES:	CC1(C)C2C(C(=O)NC(CC3CCNC3=O)C(O)C(N)=O)N(CC21)C(=O)CNc1c(F)cc(F)cc1F
InChi:	InChI=1S/C24H30F3N5O5/c1-24(2)12-9-32(16(33)8-30-18-13(26)6-11(25)7-14(18)27)19(17(12)24)23(37)31-15(20(34)21(28)35)5-10-3-4-29-22(10)36/h6-7,10,12,15,17,19-20,30,34H,3-5,8-9H2,1-2H3,(H2,28,35)(H,29,36)(H,31,37)/t10-,12-,15-,17-,19-,20+/m0/s1
Definition date:	2021-10-04
Last modified:	2024-09-27
Release date:	2022-10-05
Identifier:	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide

Q5T

Q5T
Name:	(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide
Formula:	C44 H80 N8 O13 S2
SMILES:	CC[CH](NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[CH]1[SH]=C[CH]2NC(=O)N[CH]12)C(=O)N[CH](C(=O)N[CH](CC(C)C)C(=O)N[CH](CCC(N)=O)CC[S](C)(=O)=O)C(C)(C)C
InChi:	InChI=1S/C44H80N8O13S2/c1-8-31(40(56)52-39(44(4,5)6)42(58)49-32(27-29(2)3)41(57)47-30(13-14-35(45)53)16-26-67(7,60)61)48-37(55)15-18-62-20-22-64-24-25-65-23-21-63-19-17-46-36(54)12-10-9-11-34-38-33(28-66-34)50-43(59)51-38/h28-34,38-39,66H,8-27H2,1-7H3,(H2,45,53)(H,46,54)(H,47,57)(H,48,55)(H,49,58)(H,52,56)(H2,50,51,59)/t30-,31-,32-,33-,34+,38-,39+/m0/s1
Definition date:	2020-05-18
Last modified:	2024-09-27
Release date:	2020-06-17
Identifier:	(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide

Q5W

Q5W
Name:	methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate
Formula:	C17 H14 O2
SMILES:	COC(=O)C(C)=Cc1ccc2cc(ccc2c1)C#C
InChi:	InChI=1S/C17H14O2/c1-4-13-5-7-16-11-14(6-8-15(16)10-13)9-12(2)17(18)19-3/h1,5-11H,2-3H3/b12-9-
Definition date:	2020-05-19
Last modified:	2024-09-27
Release date:	2021-06-02
Identifier:	methyl (~{Z})-3-(6-ethynylnaphthalen-2-yl)-2-methyl-prop-2-enoate

Q5X

Q5X
Name:	4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
Formula:	C25 H21 Cl F2 N2 O4
SMILES:	COc1ccccc1CNC(=O)c2cc(C(=O)Nc3ccc(cc3F)C4COC4)c(Cl)cc2F
InChi:	InChI=1S/C25H21ClF2N2O4/c1-33-23-5-3-2-4-15(23)11-29-24(31)18-9-17(19(26)10-20(18)27)25(32)30-22-7-6-14(8-21(22)28)16-12-34-13-16/h2-10,16H,11-13H2,1H3,(H,29,31)(H,30,32)
Definition date:	2022-10-14
Last modified:	2024-09-27
Release date:	2022-12-28
Identifier:	4-chloranyl-6-fluoranyl-~{N}3-[2-fluoranyl-4-(oxetan-3-yl)phenyl]-~{N}1-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide

92B

92B
Name:	(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid
Formula:	C12 H16 N2 O3
SMILES:	OC(=O)[CH]1CC[CH]2C=C[CH]3CCN[CH]3C(=O)N12
InChi:	InChI=1S/C12H16N2O3/c15-11-10-7(5-6-13-10)1-2-8-3-4-9(12(16)17)14(8)11/h1-2,7-10,13H,3-6H2,(H,16,17)/t7-,8-,9-,10-/m0/s1
Definition date:	2017-04-03
Last modified:	2024-09-27
Release date:	2017-06-14
Identifier:	(3~{S},7~{R},10~{R},13~{S})-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid

Q68

Q68
Name:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
Formula:	C18 H33 N5 O4
SMILES:	CCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1Cn2cc(CNC(C)=O)nn2
InChi:	InChI=1S/C18H33N5O4/c1-3-4-5-6-7-19-15-8-16(25)18(27)17(26)14(15)11-23-10-13(21-22-23)9-20-12(2)24/h10,14-19,25-27H,3-9,11H2,1-2H3,(H,20,24)/t14-,15-,16-,17+,18+/m0/s1
Definition date:	2020-05-21
Last modified:	2024-09-27
Release date:	2021-06-30
Identifier:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide

Q69

Q69
Name:	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
Formula:	C10 H12 Cl N O2
SMILES:	Clc1cc(ccc1)C(NC(C)=O)CO
InChi:	InChI=1S/C10H12ClNO2/c1-7(14)12-10(6-13)8-3-2-4-9(11)5-8/h2-5,10,13H,6H2,1H3,(H,12,14)/t10-/m0/s1
Definition date:	2023-08-18
Last modified:	2024-09-27
Release date:	2023-11-08
Identifier:	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide

Q6H

Q6H
Name:	5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide
Formula:	C18 H17 F N2 O3 Se
SMILES:	Fc1ccc([SeH])c(c1)C(=O)Nc2cccc(c2)C(=O)N3CCOCC3
InChi:	InChI=1S/C18H17FN2O3Se/c19-13-4-5-16(25)15(11-13)17(22)20-14-3-1-2-12(10-14)18(23)21-6-8-24-9-7-21/h1-5,10-11,25H,6-9H2,(H,20,22)
Definition date:	2020-05-22
Last modified:	2024-09-27
Release date:	2020-09-16
Identifier:	5-fluoranyl-~{N}-(3-morpholin-4-ylcarbonylphenyl)-2-selanyl-benzamide

Q6K

Q6K
Name:	~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
Formula:	C28 H35 N7 O2
SMILES:	CCC(=O)Nc1cc(Nc2nccc(n2)c3cn(C)c4ccccc34)c(OC)cc1N(C)CCN(C)C
InChi:	InChI=1S/C28H35N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h8-13,16-18H,7,14-15H2,1-6H3,(H,30,36)(H,29,31,32)
Definition date:	2020-05-25
Last modified:	2024-09-27
Release date:	2020-11-11
Identifier:	~{N}-[2-[2-(dimethylamino)ethyl-methyl-amino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide

92V

92V
Name:	1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
Formula:	C15 H16 F3 N3 O2 S
SMILES:	c1c(ccc(c1)n2c(c(cn2)C(NCCCS)=O)C(F)(F)F)OC
InChi:	InChI=1S/C15H16F3N3O2S/c1-23-11-5-3-10(4-6-11)21-13(15(16,17)18)12(9-20-21)14(22)19-7-2-8-24/h3-6,9,24H,2,7-8H2,1H3,(H,19,22)
Definition date:	2017-03-30
Last modified:	2024-09-27
Release date:	2017-10-25
Identifier:	1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide

Q6R

Q6R
Name:	(R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Formula:	C15 H16 Cl N3 O5 S
SMILES:	N[CH](C(=O)N[CH]([CH]1NC(=C(Cl)CS1)C(O)=O)C(O)=O)c2ccccc2
InChi:	InChI=1S/C15H16ClN3O5S/c16-8-6-25-13(19-10(8)14(21)22)11(15(23)24)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9,11,13,19H,6,17H2,(H,18,20)(H,21,22)(H,23,24)/t9-,11+,13-/m1/s1
Synonyms:	cefaclor
Definition date:	2023-03-24
Last modified:	2024-09-27
Release date:	2024-05-15
Identifier:	(2~{R})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-chloranyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid

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