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YGR

YGR
Name:	(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol
Formula:	C31 H37 Br N4 O7
SMILES:	COc1nc(cc(c1OC)C(c1cc2cc(Br)ccc2nc1OC)C(O)(CCN(C)C)c1cc(OC)nc(OC)c1)OC
InChi:	InChI=1S/C31H37BrN4O7/c1-36(2)12-11-31(37,19-15-24(38-3)34-25(16-19)39-4)27(21-17-26(40-5)35-30(43-8)28(21)41-6)22-14-18-13-20(32)9-10-23(18)33-29(22)42-7/h9-10,13-17,27,37H,11-12H2,1-8H3/t27-,31-/m1/s1
Definition date:	2023-02-01
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(1R,2S)-1-(6-bromo-2-methoxyquinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2,3,6-trimethoxypyridin-4-yl)butan-2-ol

YHF

YHF
Name:	5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine
Formula:	C15 H22 N5 O7 P
SMILES:	O=P(O)(OC1CCCC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C15H22N5O7P/c16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(26-15)5-25-28(23,24)27-8-3-1-2-4-8/h6-9,11-12,15,21-22H,1-5H2,(H,23,24)(H2,16,17,18)/t9-,11-,12-,15-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-[(S)-(cyclopentyloxy)(hydroxy)phosphoryl]adenosine

YHK

YHK
Name:	5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine
Formula:	C13 H18 N5 O7 P
SMILES:	O=P(O)(OC1CC1)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H18N5O7P/c14-11-8-12(16-4-15-11)18(5-17-8)13-10(20)9(19)7(24-13)3-23-26(21,22)25-6-1-2-6/h4-7,9-10,13,19-20H,1-3H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-[(R)-(cyclopropyloxy)(hydroxy)phosphoryl]adenosine

YHQ

YHQ
Name:	5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine
Formula:	C13 H20 N5 O7 P
SMILES:	CC(C)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H20N5O7P/c1-6(2)25-26(21,22)23-3-7-9(19)10(20)13(24-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13,19-20H,3H2,1-2H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-{(R)-hydroxy[(propan-2-yl)oxy]phosphoryl}adenosine

YHT

YHT
Name:	5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine
Formula:	C13 H16 N5 O7 P
SMILES:	O=P(O)(OCC#C)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C13H16N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h1,5-7,9-10,13,19-20H,3-4H2,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
Definition date:	2023-02-03
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine

XZF

XZF
Name:	Polythiazide
Formula:	C11 H13 Cl F3 N3 O4 S3
SMILES:	NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl
InChi:	InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1
Synonyms:	(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide
Definition date:	2022-12-15
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide

Y05

Y05
Name:	N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide
Formula:	C41 H38 Cl F6 N9 O5 S
SMILES:	CC1CN(CC(C)O1)c1cc2N=C(C(Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)C3CC34)N(c3ccc(Cl)c4c(NS(C)(=O)=O)nn(C)c43)C(=O)c2cc1
InChi:	InChI=1S/C41H38ClF6N9O5S/c1-18-15-55(16-19(2)62-18)23-5-6-24-28(13-23)50-39(57(40(24)59)30-8-7-27(42)33-35(30)54(3)52-38(33)53-63(4,60)61)29(11-20-9-21(43)12-22(44)10-20)49-31(58)17-56-36-32(34(51-56)37(45)46)25-14-26(25)41(36,47)48/h5-10,12-13,18-19,25-26,29,37H,11,14-17H2,1-4H3,(H,49,58)(H,52,53)/t18-,19+,25-,26+,29-/m0/s1
Definition date:	2022-12-19
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide

2I4

2I4
Name:	3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid
Formula:	C36 H56 O6
SMILES:	O=C(O)C(C)(C)CC(=O)OC1CCC2(C)C3CCC4C5C(CCC5(CCC4(C)C3(C)CCC2C1(C)C)C(=O)O)C(=C)C
InChi:	InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23+,24-,25+,26-,28+,33-,34+,35+,36-/m0/s1
Synonyms:	Bevirimat
Definition date:	2021-06-28
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid

YDG

YDG
Name:	N,N-dimethyl-2-(1H-pyrazol-1-yl)acetamide
Formula:	C7 H11 N3 O
SMILES:	O=C(Cn1cccn1)N(C)C
InChi:	InChI=1S/C7H11N3O/c1-9(2)7(11)6-10-5-3-4-8-10/h3-5H,6H2,1-2H3
Definition date:	2023-01-25
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N,N-dimethyl-2-(1H-pyrazol-1-yl)acetamide

YDU

YDU
Name:	2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
Formula:	C10 H15 N3 O2
SMILES:	O=C(Nc1nc(C)no1)CC1CCCC1
InChi:	InChI=1S/C10H15N3O2/c1-7-11-10(15-13-7)12-9(14)6-8-4-2-3-5-8/h8H,2-6H2,1H3,(H,11,12,13,14)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	2-cyclopentyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

YDX

YDX
Name:	N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide
Formula:	C9 H11 N5 O
SMILES:	O=C(Nc1ccn(C)n1)Cn1cccn1
InChi:	InChI=1S/C9H11N5O/c1-13-6-3-8(12-13)11-9(15)7-14-5-2-4-10-14/h2-6H,7H2,1H3,(H,11,12,15)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-(1-methyl-1H-pyrazol-3-yl)-2-(1H-pyrazol-1-yl)acetamide

YEB

YEB
Name:	N,N-dimethylmorpholine-4-sulfonamide
Formula:	C6 H14 N2 O3 S
SMILES:	O=S(=O)(N1CCOCC1)N(C)C
InChi:	InChI=1S/C6H14N2O3S/c1-7(2)12(9,10)8-3-5-11-6-4-8/h3-6H2,1-2H3
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N,N-dimethylmorpholine-4-sulfonamide

YEF

YEF
Name:	4-(4-methoxyphenyl)oxane-4-carboxylic acid
Formula:	C13 H16 O4
SMILES:	OC(=O)C1(CCOCC1)c1ccc(OC)cc1
InChi:	InChI=1S/C13H16O4/c1-16-11-4-2-10(3-5-11)13(12(14)15)6-8-17-9-7-13/h2-5H,6-9H2,1H3,(H,14,15)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	4-(4-methoxyphenyl)oxane-4-carboxylic acid

YEK

YEK
Name:	methyl 1-(methanesulfonyl)-2-methyl-D-prolinate
Formula:	C8 H15 N O4 S
SMILES:	O=S(C)(=O)N1CCCC1(C)C(=O)OC
InChi:	InChI=1S/C8H15NO4S/c1-8(7(10)13-2)5-4-6-9(8)14(3,11)12/h4-6H2,1-3H3/t8-/m1/s1
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	methyl 1-(methanesulfonyl)-2-methyl-D-prolinate

YER

YER
Name:	3-[(pyrimidin-2-yl)amino]benzoic acid
Formula:	C11 H9 N3 O2
SMILES:	O=C(O)c1cc(ccc1)Nc1ncccn1
InChi:	InChI=1S/C11H9N3O2/c15-10(16)8-3-1-4-9(7-8)14-11-12-5-2-6-13-11/h1-7H,(H,15,16)(H,12,13,14)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	3-[(pyrimidin-2-yl)amino]benzoic acid

YEZ

YEZ
Name:	[1]benzofuro[2,3-d]pyridazin-4(3H)-one
Formula:	C10 H6 N2 O2
SMILES:	O=C1NN=Cc2c3ccccc3oc21
InChi:	InChI=1S/C10H6N2O2/c13-10-9-7(5-11-12-10)6-3-1-2-4-8(6)14-9/h1-5H,(H,12,13)
Definition date:	2023-01-26
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	[1]benzofuro[2,3-d]pyridazin-4(3H)-one

5NF

5NF
Name:	(3S,4S,5S,8S)-8-[(2S)-butan-2-yl]-3-methyl-3,4-bis(oxidanyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione
Formula:	C12 H20 N2 O5
SMILES:	CC[CH](C)[CH]1NC(=O)[C]2(NC1=O)OC[C](C)(O)[CH]2O
InChi:	InChI=1S/C12H20N2O5/c1-4-6(2)7-8(15)14-12(10(17)13-7)9(16)11(3,18)5-19-12/h6-7,9,16,18H,4-5H2,1-3H3,(H,13,17)(H,14,15)/t6-,7-,9-,11-,12-/m0/s1
Definition date:	2021-08-23
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3~{S},4~{S},5~{S},8~{S})-8-[(2~{S})-butan-2-yl]-3-methyl-3,4-bis(oxidanyl)-1-oxa-7,10-diazaspiro[4.5]decane-6,9-dione

5P0

5P0
Name:	(3Z,6S)-3-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2S)-4-oxidanylbutan-2-yl]piperazine-2,5-dione
Formula:	C12 H20 N2 O5
SMILES:	C[CH](CCO)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO
InChi:	InChI=1S/C12H20N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h5,7,9,15-16,19H,3-4,6H2,1-2H3,(H,13,18)(H,14,17)/b8-5-/t7-,9-,12+/m0/s1
Definition date:	2021-08-23
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3~{Z},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione

5UQ

5UQ
Name:	(3S,6S)-3-((R)-2,3-dihydroxy-2-methylpropyl)-6-((S)-4-hydroxybutan-2-yl)piperazine-2,5-dione
Formula:	C12 H22 N2 O5
SMILES:	C[CH](CCO)[CH]1NC(=O)[CH](C[C](C)(O)CO)NC1=O
InChi:	InChI=1S/C12H22N2O5/c1-7(3-4-15)9-11(18)13-8(10(17)14-9)5-12(2,19)6-16/h7-9,15-16,19H,3-6H2,1-2H3,(H,13,18)(H,14,17)/t7-,8-,9-,12+/m0/s1
Definition date:	2021-08-24
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3~{S},6~{S})-3-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propyl]-6-[(2~{S})-4-oxidanylbutan-2-yl]piperazine-2,5-dione

5WI

5WI
Name:	(3S,6Z)-3-[(2S)-butan-2-yl]-6-[(2R)-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione
Formula:	C12 H20 N2 O4
SMILES:	CC[CH](C)[CH]1NC(=O)C(NC1=O)=C[C](C)(O)CO
InChi:	InChI=1S/C12H20N2O4/c1-4-7(2)9-11(17)13-8(10(16)14-9)5-12(3,18)6-15/h5,7,9,15,18H,4,6H2,1-3H3,(H,13,17)(H,14,16)/b8-5-/t7-,9-,12+/m0/s1
Definition date:	2021-08-24
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(3~{S},6~{Z})-3-[(2~{S})-butan-2-yl]-6-[(2~{R})-2-methyl-2,3-bis(oxidanyl)propylidene]piperazine-2,5-dione

8KI

8KI
Name:	(1S,5S,6S)-5-methyl-1-[(1S,2S)-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione
Formula:	C12 H20 N2 O6
SMILES:	C[CH]1CCO[C]2(NC(=O)[CH]1NC2=O)[CH](O)[C](C)(O)CO
InChi:	InChI=1S/C12H20N2O6/c1-6-3-4-20-12(9(17)11(2,19)5-15)10(18)13-7(6)8(16)14-12/h6-7,9,15,17,19H,3-5H2,1-2H3,(H,13,18)(H,14,16)/t6-,7-,9-,11-,12-/m0/s1
Definition date:	2021-12-20
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	(1~{S},5~{S},6~{S})-5-methyl-1-[(1~{S},2~{S})-2-methyl-1,2,3-tris(oxidanyl)propyl]-2-oxa-7,9-diazabicyclo[4.2.2]decane-8,10-dione

FIZ

FIZ
Name:	2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one
Formula:	C22 H25 Cl2 N5 O2
SMILES:	C[CH]1OCC2(CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C(=O)N3C)[CH]1N
InChi:	InChI=1S/C22H25Cl2N5O2/c1-13-19(25)22(12-31-13)7-10-28(11-8-22)21-26-29-9-6-15(18(29)20(30)27(21)2)14-4-3-5-16(23)17(14)24/h3-6,9,13,19H,7-8,10-12,25H2,1-2H3/t13-,19-/m0/s1
Definition date:	2022-04-28
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	2-[(3~{S},4~{R})-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one

MIW

MIW
Name:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide
Formula:	C33 H38 F2 N5 O7 P S2
SMILES:	CN(C)C(=O)CCN(c1ccc2scnc2c1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:	InChI=1S/C33H38F2N5O7PS2/c1-32(2,3)28(37-29(42)26-16-19-15-20(8-10-24(19)50-26)33(34,35)48(45,46)47)31(44)40-13-6-7-23(40)30(43)39(14-12-27(41)38(4)5)21-9-11-25-22(17-21)36-18-49-25/h8-11,15-18,23,28H,6-7,12-14H2,1-5H3,(H,37,42)(H2,45,46,47)/t23-,28+/m0/s1
Definition date:	2022-03-16
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(1,3-benzothiazol-5-yl)-N,N-dimethyl-beta-alaninamide

MJ6

MJ6
Name:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide
Formula:	C32 H38 Br F2 N4 O7 P S
SMILES:	CN(C)C(=O)CCN(c1ccc(Br)cc1)C(=O)C1CCCN1C(=O)C(NC(=O)c1cc2cc(ccc2s1)C(F)(F)P(=O)(O)O)C(C)(C)C
InChi:	InChI=1S/C32H38BrF2N4O7PS/c1-31(2,3)27(36-28(41)25-18-19-17-20(8-13-24(19)48-25)32(34,35)47(44,45)46)30(43)39-15-6-7-23(39)29(42)38(16-14-26(40)37(4)5)22-11-9-21(33)10-12-22/h8-13,17-18,23,27H,6-7,14-16H2,1-5H3,(H,36,41)(H2,44,45,46)/t23-,27+/m0/s1
Definition date:	2022-03-16
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N~3~-(4-bromophenyl)-N,N-dimethyl-beta-alaninamide

KL9

KL9
Name:	7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide
Formula:	C23 H27 N5 O S
SMILES:	Cc1nc2sc(c(N)c2nc1)C(=O)NCCc1ccc(cc1)C1CC2CCC(N2)C1
InChi:	InChI=1S/C23H27N5OS/c1-13-12-26-20-19(24)21(30-23(20)27-13)22(29)25-9-8-14-2-4-15(5-3-14)16-10-17-6-7-18(11-16)28-17/h2-5,12,16-18,28H,6-11,24H2,1H3,(H,25,29)/t16-,17-,18+
Definition date:	2022-02-04
Last modified:	2023-02-10
Release date:	2023-02-15
Identifier:	7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide

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