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ZKA

ZKA
Name:	(1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
Formula:	C38 H50 N6 O9 S
SMILES:	CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(C)CC3)CCCCCC=CC2C1
InChi:	InChI=1S/C38H50N6O9S/c1-23-32(40-29-18-25(51-4)12-13-27(29)39-23)53-26-19-30-31(45)42-38(34(47)43-54(49,50)37(3)16-17-37)20-24(38)10-8-6-5-7-9-11-28(33(46)44(30)21-26)41-35(48)52-22-36(2)14-15-36/h8,10,12-13,18,24,26,28,30H,5-7,9,11,14-17,19-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b10-8-/t24-,26-,28+,30+,38-/m1/s1
Definition date:	2021-04-30
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate

ZKJ

ZKJ
Name:	(2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
Formula:	C36 H45 F3 N6 O9 S
SMILES:	CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1
InChi:	InChI=1S/C36H45F3N6O9S/c1-20-30(41-27-16-23(52-4)12-13-25(27)40-20)54-24-17-28-29(46)43-35(32(48)44-55(50,51)34(3)14-15-34)18-22(35)10-8-6-5-7-9-11-26(31(47)45(28)19-24)42-33(49)53-21(2)36(37,38)39/h8,10,12-13,16,21-22,24,26,28H,5-7,9,11,14-15,17-19H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b10-8-/t21-,22-,24-,26+,28+,35-/m1/s1
Definition date:	2021-04-30
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate

YJJ

YJJ
Name:	N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
Formula:	C26 H24 Cl N7 O4
SMILES:	N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=CN(C)C(=O)c12
InChi:	InChI=1S/C26H24ClN7O4/c1-15-7-16(8-17(10-28)24(15)36)18-12-34(25-23(18)26(37)32(2)14-30-25)13-22(35)31-20-9-21(29-11-19(20)27)33-3-5-38-6-4-33/h7-9,11-12,14,36H,3-6,13H2,1-2H3,(H,29,31,35)
Definition date:	2021-03-11
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide

YJS

YJS
Name:	3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide
Formula:	C26 H25 Cl2 N7 O5
SMILES:	NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2N=CN(C)C(=O)c12
InChi:	InChI=1S/C26H25Cl2N7O5/c1-13-11-40-4-3-35(13)20-7-19(18(28)8-30-20)32-21(36)10-34-9-16(22-25(34)31-12-33(2)26(22)39)14-5-15(24(29)38)23(37)17(27)6-14/h5-9,12-13,37H,3-4,10-11H2,1-2H3,(H2,29,38)(H,30,32,36)/t13-/m0/s1
Definition date:	2021-03-11
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide

VCH

VCH
Name:	(1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide
Formula:	C21 H18 F6 N2 O5 S
SMILES:	CC(=O)N1Cc2cc(ccc2[CH]1C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S](C)(=O)=O
InChi:	InChI=1S/C21H18F6N2O5S/c1-11(30)29-10-12-9-15(35(2,33)34)7-8-16(12)17(29)18(31)28-14-5-3-13(4-6-14)19(32,20(22,23)24)21(25,26)27/h3-9,17,32H,10H2,1-2H3,(H,28,31)/t17-/m1/s1
Definition date:	2021-05-05
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide

VCK

VCK
Name:	(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide
Formula:	C22 H22 F6 N2 O5 S
SMILES:	CC[S](=O)(=O)c1ccc(cc1)[CH](CC(=O)NC)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C22H22F6N2O5S/c1-3-36(34,35)16-10-4-13(5-11-16)17(12-18(31)29-2)19(32)30-15-8-6-14(7-9-15)20(33,21(23,24)25)22(26,27)28/h4-11,17,33H,3,12H2,1-2H3,(H,29,31)(H,30,32)/t17-/m1/s1
Definition date:	2021-05-05
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide

Z07

Z07
Name:	4-(trifluoromethyl)-1,3-benzothiazol-2-amine
Formula:	C8 H5 F3 N2 S
SMILES:	FC(F)(F)c1cccc2sc(N)nc12
InChi:	InChI=1S/C8H5F3N2S/c9-8(10,11)4-2-1-3-5-6(4)13-7(12)14-5/h1-3H,(H2,12,13)
Definition date:	2021-04-07
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-(trifluoromethyl)-1,3-benzothiazol-2-amine

UR5

UR5
Name:	(+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
Formula:	C6 H8 N2 O4
SMILES:	OC(=O)[CH]1NC[CH]2[CH]1ONC2=O
InChi:	InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
Synonyms:	(3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid
Definition date:	2021-03-09
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid

UR8

UR8
Name:	(-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid
Formula:	C6 H8 N2 O4
SMILES:	OC(=O)[CH]1NC[CH]2[CH]1ONC2=O
InChi:	InChI=1S/C6H8N2O4/c9-5-2-1-7-3(6(10)11)4(2)12-8-5/h2-4,7H,1H2,(H,8,9)(H,10,11)/t2-,3-,4-/m1/s1
Synonyms:	(3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid
Definition date:	2021-03-09
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid

URH

URH
Name:	~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide
Formula:	C21 H18 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(cc2)C(=O)c3ccccc3
InChi:	InChI=1S/C21H18N2O4S/c22-28(26,27)19-12-10-18(11-13-19)21(25)23-14-15-6-8-17(9-7-15)20(24)16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25)(H2,22,26,27)
Definition date:	2021-03-10
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide

LJ6

LJ6
Name:	(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide
Formula:	C11 H18 N2 O2
SMILES:	CC(Cc1c(C)onc1C)C(=O)N(C)C
InChi:	InChI=1S/C11H18N2O2/c1-7(11(14)13(4)5)6-10-8(2)12-15-9(10)3/h7H,6H2,1-5H3/t7-/m1/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide

LJK

LJK
Name:	3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
Formula:	C10 H17 N3 O
SMILES:	O=C(NC(C)(C)CC)c1cc(C)n[NH]1
InChi:	InChI=1S/C10H17N3O/c1-5-10(3,4)11-9(14)8-6-7(2)12-13-8/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide

LJR

LJR
Name:	1-cyclohexyl-N-methylmethanesulfonamide
Formula:	C8 H17 N O2 S
SMILES:	O=S(=O)(CC1CCCCC1)NC
InChi:	InChI=1S/C8H17NO2S/c1-9-12(10,11)7-8-5-3-2-4-6-8/h8-9H,2-7H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-cyclohexyl-N-methylmethanesulfonamide

LK6

LK6
Name:	N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
Formula:	C9 H15 N O3 S
SMILES:	O=S1(=O)CCC(C)(NC(=O)C2CC2)C1
InChi:	InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m1/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide

LKL

LKL
Name:	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
Formula:	C8 H10 Cl F N2 O
SMILES:	Fc1cc(Cl)cnc1N(C)CCO
InChi:	InChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol

LL0

LL0
Name:	2-(difluoromethoxy)benzene-1-sulfonamide
Formula:	C7 H7 F2 N O3 S
SMILES:	O=S(N)(=O)c1ccccc1OC(F)F
InChi:	InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)benzene-1-sulfonamide

LM6

LM6
Name:	1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine
Formula:	C7 H13 N3
SMILES:	CCn1nccc1CNC
InChi:	InChI=1S/C7H13N3/c1-3-10-7(6-8-2)4-5-9-10/h4-5,8H,3,6H2,1-2H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine

LMW

LMW
Name:	2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol
Formula:	C10 H16 N2 O
SMILES:	CCN(CCO)c1ccc(N)cc1
InChi:	InChI=1S/C10H16N2O/c1-2-12(7-8-13)10-5-3-9(11)4-6-10/h3-6,13H,2,7-8,11H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol

LO6

LO6
Name:	2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
Formula:	C9 H15 F2 N O3
SMILES:	O=C(COC(F)F)N1CC(C)OC(C)C1
InChi:	InChI=1S/C9H15F2NO3/c1-6-3-12(4-7(2)15-6)8(13)5-14-9(10)11/h6-7,9H,3-5H2,1-2H3/t6-,7+
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one

LPU

LPU
Name:	1-(methanesulfonyl)piperidin-4-ol
Formula:	C6 H13 N O3 S
SMILES:	OC1CCN(CC1)S(=O)(C)=O
InChi:	InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(methanesulfonyl)piperidin-4-ol

LQ3

LQ3
Name:	(5S)-5-(difluoromethoxy)pyridin-2(5H)-one
Formula:	C6 H5 F2 N O2
SMILES:	O=C1C=CC(OC(F)F)C=N1
InChi:	InChI=1S/C6H5F2NO2/c7-6(8)11-4-1-2-5(10)9-3-4/h1-4,6H/t4-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(5S)-5-(difluoromethoxy)pyridin-2(5H)-one

LQI

LQI
Name:	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
Formula:	C15 H17 N O2
SMILES:	CC1CCN(CC1)C(=O)c1cc2ccccc2o1
InChi:	InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone

LQP

LQP
Name:	2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
Formula:	C10 H15 F2 N O2
SMILES:	FC(F)OCC(=O)N1CC2CCCC2C1
InChi:	InChI=1S/C10H15F2NO2/c11-10(12)15-6-9(14)13-4-7-2-1-3-8(7)5-13/h7-8,10H,1-6H2/t7-,8+
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one

LR9

LR9
Name:	3-amino-N-ethyl-N-methylbenzamide
Formula:	C10 H14 N2 O
SMILES:	O=C(c1cc(N)ccc1)N(C)CC
InChi:	InChI=1S/C10H14N2O/c1-3-12(2)10(13)8-5-4-6-9(11)7-8/h4-7H,3,11H2,1-2H3
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-amino-N-ethyl-N-methylbenzamide

LRF

LRF
Name:	N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
Formula:	C8 H10 N4 O S
SMILES:	N#Cc1c(snc1C)N(C)CC(N)=O
InChi:	InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide

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