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IJF
IJF
Name:(4-bromanylpyridin-2-yl)methanol
Formula:C6 H6 Br N O
SMILES:OCc1cc(Br)ccn1
InChi:InChI=1S/C6H6BrNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(4-bromanylpyridin-2-yl)methanol
IJI
IJI
Name:(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide
Formula:C11 H19 N5 O2
SMILES:CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C
InChi:InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide
IJL
IJL
Name:4-iodanylbenzamide
Formula:C7 H6 I N O
SMILES:NC(=O)c1ccc(I)cc1
InChi:InChI=1S/C7H6INO/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H2,9,10)
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-iodanylbenzamide
IJO
IJO
Name:4-bromanyl-2-methoxy-pyridine
Formula:C6 H6 Br N O
SMILES:COc1cc(Br)ccn1
InChi:InChI=1S/C6H6BrNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-bromanyl-2-methoxy-pyridine
IJR
IJR
Name:(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
Formula:C8 H11 Br N2 O2
SMILES:C[CH](NC(C)=O)C(=O)NCC#CBr
InChi:InChI=1S/C8H11BrN2O2/c1-6(11-7(2)12)8(13)10-5-3-4-9/h6H,5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide
IJU
IJU
Name:4-bromanyl-2-(methoxymethyl)pyridine
Formula:C7 H8 Br N O
SMILES:COCc1cc(Br)ccn1
InChi:InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-bromanyl-2-(methoxymethyl)pyridine
IJX
IJX
Name:~{N}-(4-bromophenyl)ethanamide
Formula:C8 H8 Br N O
SMILES:CC(=O)Nc1ccc(Br)cc1
InChi:InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-(4-bromophenyl)ethanamide
IK3
IK3
Name:(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
Formula:C14 H18 N2 O3
SMILES:CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C
InChi:InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
9MI
9MI
Name:1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
Formula:C10 H16
SMILES:CC(C)C1=CC=C(C)CC1
InChi:InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8H,5,7H2,1-3H3
Definition date:2021-10-20
Last modified:2022-11-18
Release date:2022-11-23
Identifier:1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene
9NI
9NI
Name:1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
Formula:C10 H16
SMILES:CC1=CCC(=CC1)C(C)C
InChi:InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
Definition date:2021-10-20
Last modified:2022-11-18
Release date:2022-11-23
Identifier:1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
9PJ
9PJ
Name:5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile
Formula:C22 H15 F7 N4 O3
SMILES:FC(F)C(F)(F)C=1N=CN(CC2C=C(F)C(=O)N=C2C)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F
InChi:InChI=1S/C22H15F7N4O3/c1-9-12(6-30)3-11(18(24)25)5-15(9)36-16-17(22(28,29)21(26)27)31-8-33(20(16)35)7-13-4-14(23)19(34)32-10(13)2/h3-5,8,13,18,21H,7H2,1-2H3/t13-/m0/s1
Definition date:2021-10-25
Last modified:2022-11-18
Release date:2022-11-23
Identifier:5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile
9PS
9PS
Name:4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol
Formula:C18 H14 O2
SMILES:Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O
InChi:InChI=1S/C18H14O2/c19-17-10-8-14(12-18(17)20)6-5-13-7-9-15-3-1-2-4-16(15)11-13/h1-12,19-20H/b6-5+
Definition date:2021-11-19
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol
9QI
9QI
Name:5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile
Formula:C21 H13 F7 N4 O3
SMILES:FC(F)C(F)(F)C=1N=CN(CC2=CC(F)=CNC2=O)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F
InChi:InChI=1S/C21H13F7N4O3/c1-9-11(5-29)2-10(17(23)24)4-14(9)35-15-16(21(27,28)20(25)26)31-8-32(19(15)34)7-12-3-13(22)6-30-18(12)33/h2-4,6,8,17,20H,7H2,1H3,(H,30,33)
Definition date:2021-10-25
Last modified:2022-11-18
Release date:2022-11-23
Identifier:5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile
9RJ
9RJ
Name:4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
Formula:C18 H14 O2
SMILES:Oc1ccc(C=Cc2cccc3ccccc23)cc1O
InChi:InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+
Definition date:2021-11-19
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
IS0
IS0
Name:4-bromanyl-1,2-dimethoxy-benzene
Formula:C8 H9 Br O2
SMILES:COc1ccc(Br)cc1OC
InChi:InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
Definition date:2022-04-11
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-bromanyl-1,2-dimethoxy-benzene
P0I
P0I
Name:4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide
Formula:C26 H33 N3 O3
SMILES:O=C(Nc1ccccc1)N1CCN(CC1)C(=O)c1cccc(OCCC2CCCCC2)c1
InChi:InChI=1S/C26H33N3O3/c30-25(22-10-7-13-24(20-22)32-19-14-21-8-3-1-4-9-21)28-15-17-29(18-16-28)26(31)27-23-11-5-2-6-12-23/h2,5-7,10-13,20-21H,1,3-4,8-9,14-19H2,(H,27,31)
Definition date:2022-05-20
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-[3-(2-cyclohexylethoxy)benzoyl]-N-phenylpiperazine-1-carboxamide
9ZL
9ZL
Name:~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Formula:C19 H17 Cl F3 N3 O S
SMILES:CC(C)Oc1ccc(cc1Cl)c2sc(CNc3ccnc(c3)C(F)(F)F)cn2
InChi:InChI=1S/C19H17ClF3N3OS/c1-11(2)27-16-4-3-12(7-15(16)20)18-26-10-14(28-18)9-25-13-5-6-24-17(8-13)19(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,24,25)
Definition date:2021-11-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
A0F
A0F
Name:N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Formula:C22 H16 F3 N3 O S
SMILES:FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(Oc4ccccc4)cc3)ccn1
InChi:InChI=1S/C22H16F3N3OS/c23-22(24,25)20-12-16(10-11-26-20)27-13-19-14-28-21(30-19)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,26,27)
Synonyms:N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
Definition date:2021-11-23
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
ET7
ET7
Name:~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide
Formula:C23 H19 F N2 O2 S
SMILES:CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13
InChi:InChI=1S/C23H19FN2O2S/c1-2-26-19-12-11-17(25-22(27)13-15-7-9-16(24)10-8-15)14-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-12,14H,2,13H2,1H3,(H,25,27)
Definition date:2022-01-12
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide
BJ6
BJ6
Name:3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
Formula:C18 H15 N O3
SMILES:OC(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3
InChi:InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)
Definition date:2022-03-29
Last modified:2022-11-18
Release date:2022-11-23
Identifier:3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
C9I
C9I
Name:(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
Formula:C23 H23 N5 O3
SMILES:CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34
InChi:InChI=1S/C23H23N5O3/c1-2-18(17-9-5-7-14-6-3-4-8-16(14)17)27-22(29)20-13-28(23(30)31-20)15-10-11-19(21(24)25)26-12-15/h3-12,18,20H,2,13H2,1H3,(H3,24,25)(H,27,29)/t18-,20+/m0/s1
Definition date:2021-12-14
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
U9P
U9P
Name:(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide
Formula:C23 H26 N8 O2
SMILES:CC(C)n1ccc(n1)c1cn2ncc(c2nc1NC1CCOC1)c1cc(cnc1)C(=O)NC
InChi:InChI=1S/C23H26N8O2/c1-14(2)30-6-4-20(29-30)19-12-31-22(28-21(19)27-17-5-7-33-13-17)18(11-26-31)15-8-16(10-25-9-15)23(32)24-3/h4,6,8-12,14,17H,5,7,13H2,1-3H3,(H,24,32)(H,27,28)/t17-/m0/s1
Definition date:2022-08-12
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(5M)-N-methyl-5-{(6M,8S)-5-{[(3S)-oxolan-3-yl]amino}-6-[1-(propan-2-yl)-1H-pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl}pyridine-3-carboxamide
VZN
VZN
Name:{6-[(3-hydroxy-2-methylphenoxy)methyl]pyridin-2-yl}methyl nitrate
Formula:C14 H14 N2 O5
SMILES:Oc1cccc(OCc2cccc(CO[N+]([O-])=O)n2)c1C
InChi:InChI=1S/C14H14N2O5/c1-10-13(17)6-3-7-14(10)20-8-11-4-2-5-12(15-11)9-21-16(18)19/h2-7,17H,8-9H2,1H3
Definition date:2022-09-24
Last modified:2022-11-11
Release date:2022-11-16
Identifier:{6-[(3-hydroxy-2-methylphenoxy)methyl]pyridin-2-yl}methyl nitrate
CI7
CI7
Name:3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide
Formula:C19 H17 Br Cl N3 O3 S
SMILES:CS(=O)(=O)NC(=O)CCc1cn(nc1c1ccc(Cl)cc1)c1ccc(Br)cc1
InChi:InChI=1S/C19H17BrClN3O3S/c1-28(26,27)23-18(25)11-4-14-12-24(17-9-5-15(20)6-10-17)22-19(14)13-2-7-16(21)8-3-13/h2-3,5-10,12H,4,11H2,1H3,(H,23,25)
Definition date:2021-11-22
Last modified:2022-11-11
Release date:2022-11-16
Identifier:3-[1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-N-(methanesulfonyl)propanamide
IWQ
IWQ
Name:(2S)-2-[[(2S)-2-[2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
Formula:C32 H35 N9 O8
SMILES:NC1=Nc2nc(cnc2C(=O)N1)C(=O)NCC(=O)N[CH](Cc3ccccc3)C(=O)N[CH](CCCCNC(=O)OCc4ccccc4)C(O)=O
InChi:InChI=1S/C32H35N9O8/c33-31-40-26-25(29(45)41-31)35-16-23(38-26)27(43)36-17-24(42)37-22(15-19-9-3-1-4-10-19)28(44)39-21(30(46)47)13-7-8-14-34-32(48)49-18-20-11-5-2-6-12-20/h1-6,9-12,16,21-22H,7-8,13-15,17-18H2,(H,34,48)(H,36,43)(H,37,42)(H,39,44)(H,46,47)(H3,33,38,40,41,45)/t21-,22-/m0/s1
Definition date:2022-07-27
Last modified:2022-11-11
Release date:2022-11-16
Identifier:(2~{S})-2-[[(2~{S})-2-[2-[(2-azanyl-4-oxidanylidene-3~{H}-pteridin-7-yl)carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

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