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NUY
NUY
Name:[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
Formula:C12 H18 N2 O S
SMILES:N1(C(C)C)CCN(CC1)C(c2cccs2)=O
InChi:InChI=1S/C12H18N2OS/c1-10(2)13-5-7-14(8-6-13)12(15)11-4-3-9-16-11/h3-4,9-10H,5-8H2,1-2H3
Definition date:2019-05-28
Last modified:2019-07-05
Release date:2019-07-10
Identifier:[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone
NWP
NWP
Name:(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
Formula:C9 H20 N2 O3 S
SMILES:N1(S(N(C(C)C)C)(=O)=O)CCOC(C)C1
InChi:InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m1/s1
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
NWV
NWV
Name:N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
Formula:C10 H11 N3 O2
SMILES:N(Cc1cn(C)nc1)C(=O)c2ccco2
InChi:InChI=1S/C10H11N3O2/c1-13-7-8(6-12-13)5-11-10(14)9-3-2-4-15-9/h2-4,6-7H,5H2,1H3,(H,11,14)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[(1-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
NWY
NWY
Name:N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
Formula:C12 H16 N2 O
SMILES:n2c(C)ccc(CNC(=O)C1CCC1)c2
InChi:InChI=1S/C12H16N2O/c1-9-5-6-10(7-13-9)8-14-12(15)11-3-2-4-11/h5-7,11H,2-4,8H2,1H3,(H,14,15)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-[(6-methylpyridin-3-yl)methyl]cyclobutanecarboxamide
NX7
NX7
Name:(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
Formula:C11 H11 F2 N O
SMILES:c1(cccc(c1C(=O)N2CCCC2)F)F
InChi:InChI=1S/C11H11F2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone
NXJ
NXJ
Name:(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide
Formula:C12 H16 N2 O
SMILES:n2cccc(N(C)C(=O)C1C(C1)(C)C)c2
InChi:InChI=1S/C12H16N2O/c1-12(2)7-10(12)11(15)14(3)9-5-4-6-13-8-9/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(1S)-N,2,2-trimethyl-N-(pyridin-3-yl)cyclopropane-1-carboxamide
NXM
NXM
Name:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
Formula:C11 H17 N3 O
SMILES:n2c(CC1CCNCC1)onc2C3CC3
InChi:InChI=1S/C11H17N3O/c1-2-9(1)11-13-10(15-14-11)7-8-3-5-12-6-4-8/h8-9,12H,1-7H2
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine
NY1
NY1
Name:2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
Formula:C10 H14 N2 O2 S
SMILES:n2c(CC(N1CCOCC1)=O)csc2C
InChi:InChI=1S/C10H14N2O2S/c1-8-11-9(7-15-8)6-10(13)12-2-4-14-5-3-12/h7H,2-6H2,1H3
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:2-(2-methyl-1,3-thiazol-4-yl)-1-(morpholin-4-yl)ethan-1-one
NY4
NY4
Name:N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide
Formula:C12 H16 N2 O
SMILES:NC(C)c1ccc(cc1)NC(=O)C2CC2
InChi:InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m0/s1
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide
NY7
NY7
Name:N-(2-methoxy-5-methylphenyl)glycinamide
Formula:C10 H14 N2 O2
SMILES:N(c1cc(ccc1OC)C)C(CN)=O
InChi:InChI=1S/C10H14N2O2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-(2-methoxy-5-methylphenyl)glycinamide
NZ4
NZ4
Name:N-(3-acetylphenyl)morpholine-4-carboxamide
Formula:C13 H16 N2 O3
SMILES:N(c1cccc(c1)C(C)=O)C(N2CCOCC2)=O
InChi:InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:N-(3-acetylphenyl)morpholine-4-carboxamide
NZ7
NZ7
Name:(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
Formula:C10 H18 N2 O3
SMILES:N(C)(C)C(N2CCOCC21COCC1)=O
InChi:InChI=1S/C10H18N2O3/c1-11(2)9(13)12-4-6-15-8-10(12)3-5-14-7-10/h3-8H2,1-2H3/t10-/m1/s1
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(5R)-N,N-dimethyl-2,9-dioxa-6-azaspiro[4.5]decane-6-carboxamide
NZD
NZD
Name:4-methyl-N-phenylpiperazine-1-carboxamide
Formula:C12 H17 N3 O
SMILES:N1(CCN(CC1)C(Nc2ccccc2)=O)C
InChi:InChI=1S/C12H17N3O/c1-14-7-9-15(10-8-14)12(16)13-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,13,16)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:4-methyl-N-phenylpiperazine-1-carboxamide
NZG
NZG
Name:3-(acetylamino)-4-fluorobenzoic acid
Formula:C9 H8 F N O3
SMILES:N(C(C)=O)c1cc(C(O)=O)ccc1F
InChi:InChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:3-(acetylamino)-4-fluorobenzoic acid
NZJ
NZJ
Name:1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
Formula:C14 H18 N2 O2
SMILES:N1(CCC(CC1)C(N)=O)C(c2cccc(c2)C)=O
InChi:InChI=1S/C14H18N2O2/c1-10-3-2-4-12(9-10)14(18)16-7-5-11(6-8-16)13(15)17/h2-4,9,11H,5-8H2,1H3,(H2,15,17)
Definition date:2019-05-29
Last modified:2019-07-05
Release date:2019-07-10
Identifier:1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide
PD9
PD9
Name:(~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
Formula:C14 H15 N3 O5
SMILES:CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N
InChi:InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+
Definition date:2015-10-30
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
DJ9
DJ9
Name:2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
Formula:C23 H20 N4 O3
SMILES:COc1c(OC)cc(cc1OC)c2c3c(ccn2)nc(n3)c4ccc5c(c4)ncc5
InChi:InChI=1S/C23H20N4O3/c1-28-18-11-15(12-19(29-2)22(18)30-3)20-21-16(7-9-25-20)26-23(27-21)14-5-4-13-6-8-24-17(13)10-14/h4-12,24H,1-3H3,(H,26,27)
Definition date:2018-01-24
Last modified:2019-07-05
Release date:2019-07-10
Identifier:2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
HKM
HKM
Name:2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
Formula:C16 H12 N4 O S
SMILES:c1cc(c(C#N)cc1)Oc2cccnc2Nc3nc(C)cs3
InChi:InChI=1S/C16H12N4OS/c1-11-10-22-16(19-11)20-15-14(7-4-8-18-15)21-13-6-3-2-5-12(13)9-17/h2-8,10H,1H3,(H,18,19,20)
Definition date:2018-07-09
Last modified:2019-07-05
Release date:2019-07-10
Identifier:2-({2-[(4-methyl-1,3-thiazol-2-yl)amino]pyridin-3-yl}oxy)benzonitrile
HL7
HL7
Name:(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
Formula:C37 H47 N5 O4 S
SMILES:O=C(NC)OC1CCCC1C6(C2CCN(CC2)CC3CN(C3)c5ccc(S(=O)(c4ccncc4)=O)cc5)CN(Cc7c6cccc7)C
InChi:InChI=1S/C37H47N5O4S/c1-38-36(43)46-35-9-5-8-34(35)37(26-40(2)25-28-6-3-4-7-33(28)37)29-16-20-41(21-17-29)22-27-23-42(24-27)30-10-12-31(13-11-30)47(44,45)32-14-18-39-19-15-32/h3-4,6-7,10-15,18-19,27,29,34-35H,5,8-9,16-17,20-26H2,1-2H3,(H,38,43)/t34-,35-,37-/m0/s1
Definition date:2018-07-10
Last modified:2019-07-05
Release date:2019-07-10
Identifier:(1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate
G3T
G3T
Name:1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea
Formula:C22 H35 N3 O3
SMILES:CC(C)(C)N1CCO[CH](COc2ccc(NC(=O)NC3CCCCC3)cc2)C1
InChi:InChI=1S/C22H35N3O3/c1-22(2,3)25-13-14-27-20(15-25)16-28-19-11-9-18(10-12-19)24-21(26)23-17-7-5-4-6-8-17/h9-12,17,20H,4-8,13-16H2,1-3H3,(H2,23,24,26)/t20-/m0/s1
Definition date:2018-08-23
Last modified:2019-06-28
Release date:2019-07-03
Identifier:1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea
JSK
JSK
Name:(2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
Formula:C17 H25 N7 O4
SMILES:O[CH]1CN[CH](Cn2cc(nn2)c3ccc(OCCOCCNN=N)cc3)[CH]1O
InChi:InChI=1S/C17H25N7O4/c18-22-20-5-6-27-7-8-28-13-3-1-12(2-4-13)14-10-24(23-21-14)11-15-17(26)16(25)9-19-15/h1-4,10,15-17,19,25-26H,5-9,11H2,(H2,18,20)/t15-,16+,17-/m0/s1
Definition date:2019-03-22
Last modified:2019-06-28
Release date:2019-07-03
Identifier:(2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol
JTA
JTA
Name:4-hydroxy-8-nitroquinoline-3-carboxylic acid
Formula:C10 H6 N2 O5
SMILES:c2cc(c1c(c(c(C(O)=O)cn1)O)c2)[N+](=O)[O-]
InChi:InChI=1S/C10H6N2O5/c13-9-5-2-1-3-7(12(16)17)8(5)11-4-6(9)10(14)15/h1-4H,(H,11,13)(H,14,15)
Definition date:2018-09-21
Last modified:2019-06-28
Release date:2019-07-03
Identifier:4-hydroxy-8-nitroquinoline-3-carboxylic acid
JUE
JUE
Name:~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide
Formula:C24 H25 N3 O4
SMILES:COc1ccc(cc1)[CH](NC(=O)C2=CCC(=O)N=C2)C(=O)Nc3ccc(cc3)C(C)C
InChi:InChI=1S/C24H25N3O4/c1-15(2)16-4-9-19(10-5-16)26-24(30)22(17-6-11-20(31-3)12-7-17)27-23(29)18-8-13-21(28)25-14-18/h4-12,14-15,22H,13H2,1-3H3,(H,26,30)(H,27,29)/t22-/m1/s1
Definition date:2019-03-28
Last modified:2019-06-28
Release date:2019-07-03
Identifier:~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide
JUH
JUH
Name:(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide
Formula:C27 H24 F6 N2 O5 S
SMILES:CC[S](=O)(=O)c1ccc(cc1)[CH](NC(=O)Cc2ccccc2)C(=O)Nc3ccc(cc3)C(O)(C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C27H24F6N2O5S/c1-2-41(39,40)21-14-8-18(9-15-21)23(35-22(36)16-17-6-4-3-5-7-17)24(37)34-20-12-10-19(11-13-20)25(38,26(28,29)30)27(31,32)33/h3-15,23,38H,2,16H2,1H3,(H,34,37)(H,35,36)/t23-/m1/s1
Definition date:2019-03-29
Last modified:2019-06-28
Release date:2019-07-03
Identifier:(2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide
JUN
JUN
Name:(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide
Formula:C21 H20 F6 N2 O5 S
SMILES:CC[S](=O)(=O)c1ccc(cc1)[CH](NC(C)=O)C(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C21H20F6N2O5S/c1-3-35(33,34)16-10-4-13(5-11-16)17(28-12(2)30)18(31)29-15-8-6-14(7-9-15)19(32,20(22,23)24)21(25,26)27/h4-11,17,32H,3H2,1-2H3,(H,28,30)(H,29,31)/t17-/m1/s1
Definition date:2019-03-29
Last modified:2019-06-28
Release date:2019-07-03
Identifier:(2~{R})-2-acetamido-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]ethanamide

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