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88E

88E
Name:	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine
Formula:	C20 H23 N3 O2
SMILES:	Cc1cc(OCCN2CCOCC2)nn1c3ccc4ccccc4c3
InChi:	InChI=1S/C20H23N3O2/c1-16-14-20(25-13-10-22-8-11-24-12-9-22)21-23(16)19-7-6-17-4-2-3-5-18(17)15-19/h2-7,14-15H,8-13H2,1H3
Synonyms:	S1RA
Definition date:	2021-11-29
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-[2-(5-methyl-1-naphthalen-2-yl-pyrazol-3-yl)oxyethyl]morpholine

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

LKU

LKU
Name:	3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
Formula:	C14 H12 F N O2
SMILES:	Cc1ccc(NC(=O)c2cccc(F)c2)cc1O
InChi:	InChI=1S/C14H12FNO2/c1-9-5-6-12(8-13(9)17)16-14(18)10-3-2-4-11(15)7-10/h2-8,17H,1H3,(H,16,18)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide

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

LLU

LLU
Name:	(2S)-2-(2-fluorophenoxy)propanoic acid
Formula:	C9 H9 F O3
SMILES:	CC(Oc1ccccc1F)C(=O)O
InChi:	InChI=1S/C9H9FO3/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)/t6-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2S)-2-(2-fluorophenoxy)propanoic acid

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

LNS

LNS
Name:	6-(methylcarbamoyl)pyridine-2-carboxylic acid
Formula:	C8 H8 N2 O3
SMILES:	OC(=O)c1cccc(n1)C(=O)NC
InChi:	InChI=1S/C8H8N2O3/c1-9-7(11)5-3-2-4-6(10-5)8(12)13/h2-4H,1H3,(H,9,11)(H,12,13)
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	6-(methylcarbamoyl)pyridine-2-carboxylic acid

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

9OW

9OW
Name:	3-selanyl-L-alaninamide
Formula:	C3 H8 N2 O Se
SMILES:	NC(=O)C(N)C[SeH]
InChi:	InChI=1S/C3H8N2OSe/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H2,5,6)/t2-/m0/s1
Definition date:	2021-10-21
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	3-selanyl-L-alaninamide

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

LQV

LQV
Name:	(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
Formula:	C11 H14 N2 O2
SMILES:	O=C(Nc1ccc(C)cn1)C1CCCO1
InChi:	InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide

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

LRR

LRR
Name:	1-(morpholin-4-yl)-4-phenylbutan-1-one
Formula:	C14 H19 N O2
SMILES:	O=C(CCCc1ccccc1)N1CCOCC1
InChi:	InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
Definition date:	2022-03-04
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	1-(morpholin-4-yl)-4-phenylbutan-1-one

9UV

9UV
Name:	(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile
Formula:	C27 H27 Cl N4 O6
SMILES:	N#CC=Cc1cc(cc(Cl)c1)Oc1ccc(OCCN2CCOCC2)cc1OCCN1C=CC(=O)NC1=O
InChi:	InChI=1S/C27H27ClN4O6/c28-21-16-20(2-1-6-29)17-23(18-21)38-24-4-3-22(36-14-10-31-8-12-35-13-9-31)19-25(24)37-15-11-32-7-5-26(33)30-27(32)34/h1-5,7,16-19H,8-15H2,(H,30,33,34)/b2-1+
Definition date:	2021-10-29
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-[2-(morpholin-4-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile

9W3

9W3
Name:	4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
Formula:	C28 H30 N8 O2
SMILES:	N#Cc1ccc(cc1)Nc1nc(nc(Nc2c(C)cc(C=CC#N)cc2C)n1)OCCCN1CCOCC1
InChi:	InChI=1S/C28H30N8O2/c1-20-17-23(5-3-10-29)18-21(2)25(20)32-27-33-26(31-24-8-6-22(19-30)7-9-24)34-28(35-27)38-14-4-11-36-12-15-37-16-13-36/h3,5-9,17-18H,4,11-16H2,1-2H3,(H2,31,32,33,34,35)/b5-3+
Definition date:	2021-10-29
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile

7SE

7SE
Name:	(3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione
Formula:	C11 H10 N4 O2
SMILES:	O=C1CC[CH](n2nc3ccccc3n2)C(=O)N1
InChi:	InChI=1S/C11H10N4O2/c16-10-6-5-9(11(17)12-10)15-13-7-3-1-2-4-8(7)14-15/h1-4,9H,5-6H2,(H,12,16,17)/t9-/m0/s1
Definition date:	2021-08-24
Last modified:	2022-03-11
Release date:	2022-03-16
Identifier:	(3~{S})-3-(benzotriazol-2-yl)piperidine-2,6-dione

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