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EAQ
EAQ
Name:6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
Formula:C20 H21 N6 O
SMILES:CC(C)(C)c1ccc(cn1)C(=O)Nc2[nH]c3ccc(c[n]3c2)c4c[nH]nc4
InChi:InChI=1S/C20H21N6O/c1-20(2,3)16-6-4-13(8-21-16)19(27)25-17-12-26-11-14(5-7-18(26)24-17)15-9-22-23-10-15/h4-12,24H,1-3H3,(H,22,23)(H,25,27)
Definition date:2018-03-12
Last modified:2018-07-13
Release date:2018-07-18
Identifier:6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
EAZ
EAZ
Name:(2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine
Formula:C19 H24 N4 O
SMILES:CC(C)C[CH](N)COc1cncc(c1)c2ccc3n[nH]c(C)c3c2
InChi:InChI=1S/C19H24N4O/c1-12(2)6-16(20)11-24-17-7-15(9-21-10-17)14-4-5-19-18(8-14)13(3)22-23-19/h4-5,7-10,12,16H,6,11,20H2,1-3H3,(H,22,23)/t16-/m0/s1
Definition date:2018-03-12
Last modified:2018-07-13
Release date:2018-07-18
Identifier:(2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine
EE8
EE8
Name:~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
Formula:C10 H12 Cl N O2
SMILES:CCOc1ccc(NC(C)=O)cc1Cl
InChi:InChI=1S/C10H12ClNO2/c1-3-14-10-5-4-8(6-9(10)11)12-7(2)13/h4-6H,3H2,1-2H3,(H,12,13)
Definition date:2018-03-15
Last modified:2018-07-13
Release date:2018-07-18
Identifier:~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
EEZ
EEZ
Name:~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
Formula:C23 H23 Cl N2 O4 S
SMILES:CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[CH](C)c3ccccc3)c(Cl)c2)cc1
InChi:InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1
Definition date:2018-03-16
Last modified:2018-07-13
Release date:2018-07-18
Identifier:~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
EF5
EF5
Name:2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide
Formula:C26 H22 N2 O4 S2
SMILES:CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(C(=O)c3ccccc3)c(n2)c4ccccc4)cc1
InChi:InChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29)
Definition date:2018-03-16
Last modified:2018-07-13
Release date:2018-07-18
Identifier:2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide
F7E
F7E
Name:[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},6~{R})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate
Formula:C16 H23 N5 O15 P2
SMILES:C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)C1=O
InChi:InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1
Definition date:2018-06-06
Last modified:2018-07-13
Release date:2018-07-18
Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},6~{R})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate
F9N
F9N
Name:3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide
Formula:C23 H33 N7 O3 S
SMILES:CN(C)CCCN[S](=O)(=O)c1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1
InChi:InChI=1S/C23H33N7O3S/c1-30(2)13-7-12-26-34(31,32)19-11-6-10-18(14-19)27-23-28-21-20(24-16-25-21)22(29-23)33-15-17-8-4-3-5-9-17/h6,10-11,14,16-17,26H,3-5,7-9,12-13,15H2,1-2H3,(H2,24,25,27,28,29)
Definition date:2018-06-15
Last modified:2018-07-13
Release date:2018-07-18
Identifier:3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide
FCJ
FCJ
Name:2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine
Formula:C11 H18 N5 O11 P3
SMILES:c3n(C1OC(COP(=O)(O)OP(O)(CP(=O)(O)O)=O)C(C1)O)c2c(c(ncn2)N)n3
InChi:InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-30(23,24)27-29(21,22)5-28(18,19)20/h3-4,6-8,17H,1-2,5H2,(H,21,22)(H,23,24)(H2,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:2018-03-22
Last modified:2018-07-13
Release date:2018-07-18
Identifier:2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine
FYY
FYY
Name:2-aminoethyl (4-bromophenyl)phenylborinate
Formula:C14 H15 B Br N O
SMILES:B(c1ccc(Br)cc1)(c2ccccc2)OCCN
InChi:InChI=1S/C14H15BBrNO/c16-14-8-6-13(7-9-14)15(18-11-10-17)12-4-2-1-3-5-12/h1-9H,10-11,17H2
Definition date:2018-04-26
Last modified:2018-07-13
Release date:2018-07-18
Identifier:2-aminoethyl (4-bromophenyl)phenylborinate
FZ4
FZ4
Name:2-aminoethyl diphenylborinate
Formula:C14 H16 B N O
SMILES:B(c1ccccc1)(c2ccccc2)OCCN
InChi:InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
Definition date:2018-04-26
Last modified:2018-07-13
Release date:2018-07-18
Identifier:2-aminoethyl diphenylborinate
G2D
G2D
Name:N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide
Formula:C24 H25 N3 O2
SMILES:c5c(c(cc(C(NC4c3c(ccc(c2cn1c(CCC1)n2)c3)CC4)=O)c5)OC)C
InChi:InChI=1S/C24H25N3O2/c1-15-5-6-18(13-22(15)29-2)24(28)26-20-10-9-16-7-8-17(12-19(16)20)21-14-27-11-3-4-23(27)25-21/h5-8,12-14,20H,3-4,9-11H2,1-2H3,(H,26,28)/t20-/m1/s1
Definition date:2018-05-02
Last modified:2018-07-13
Release date:2018-07-18
Identifier:N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide
G4F
G4F
Name:[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
Formula:C16 H24 F N5 O15 P2
SMILES:NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4O[CH](CO)[CH](F)[CH](O)[CH]4O)[CH](O)[CH]3O
InChi:InChI=1S/C16H24FN5O15P2/c17-6-4(1-23)35-15(11(27)9(6)25)36-39(31,32)37-38(29,30)33-2-5-8(24)10(26)14(34-5)22-3-19-7-12(22)20-16(18)21-13(7)28/h3-6,8-11,14-15,23-27H,1-2H2,(H,29,30)(H,31,32)(H3,18,20,21,28)/t4-,5-,6-,8-,9+,10-,11+,14-,15-/m1/s1
Definition date:2018-06-06
Last modified:2018-07-13
Release date:2018-07-18
Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
GWG
GWG
Name:1-methylindazole-3-carboxamide
Formula:C9 H9 N3 O
SMILES:Cn1nc(C(N)=O)c2ccccc12
InChi:InChI=1S/C9H9N3O/c1-12-7-5-3-2-4-6(7)8(11-12)9(10)13/h2-5H,1H3,(H2,10,13)
Definition date:2018-06-01
Last modified:2018-07-13
Release date:2018-07-18
Identifier:1-methylindazole-3-carboxamide
GWP
GWP
Name:2-cyclopropyl-1~{H}-imidazole-4-carboxamide
Formula:C7 H9 N3 O
SMILES:NC(=O)c1c[nH]c(n1)C2CC2
InChi:InChI=1S/C7H9N3O/c8-6(11)5-3-9-7(10-5)4-1-2-4/h3-4H,1-2H2,(H2,8,11)(H,9,10)
Definition date:2018-06-01
Last modified:2018-07-13
Release date:2018-07-18
Identifier:2-cyclopropyl-1~{H}-imidazole-4-carboxamide
GWS
GWS
Name:2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide
Formula:C13 H18 N2 O
SMILES:O=C(CC1CCCCC1)Nc2cccnc2
InChi:InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)
Definition date:2018-06-01
Last modified:2018-07-13
Release date:2018-07-18
Identifier:2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide
GWV
GWV
Name:~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Formula:C12 H20 N2
SMILES:CC(C)NCc1ccc(cc1)N(C)C
InChi:InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
Definition date:2018-06-01
Last modified:2018-07-13
Release date:2018-07-18
Identifier:~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
GWY
GWY
Name:5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine
Formula:C10 H14 Cl N3 O
SMILES:CN(C[CH]1CCOC1)c2ncncc2Cl
InChi:InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m0/s1
Definition date:2018-06-01
Last modified:2018-07-13
Release date:2018-07-18
Identifier:5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine
GX4
GX4
Name:cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Formula:C14 H17 F N2 O
SMILES:Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CC3
InChi:InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
Definition date:2018-06-01
Last modified:2018-07-13
Release date:2018-07-18
Identifier:cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
GX7
GX7
Name:5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
Formula:C10 H15 N3 O2
SMILES:N1C=C(C(NC1=O)=O)NC2CCCCC2
InChi:InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)
Definition date:2018-06-01
Last modified:2018-07-13
Release date:2018-07-18
Identifier:5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
H1V
H1V
Name:N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
Formula:C44 H46 Cl2 N10 O4 S2
SMILES:c7(c(c6C(c1ccc(cc1)Cl)=NC(CC(=O)NCCOCCOCCNC(CC2c5nnc(C)n5c4c(C(=N2)c3ccc(cc3)Cl)c(c(s4)C)C)=O)c8n(c6s7)c(nn8)C)C)C
InChi:InChI=1S/C44H46Cl2N10O4S2/c1-23-25(3)61-43-37(23)39(29-7-11-31(45)12-8-29)49-33(41-53-51-27(5)55(41)43)21-35(57)47-15-17-59-19-20-60-18-16-48-36(58)22-34-42-54-52-28(6)56(42)44-38(24(2)26(4)62-44)40(50-34)30-9-13-32(46)14-10-30/h7-14,33-34H,15-22H2,1-6H3,(H,47,57)(H,48,58)/t33-,34-/m0/s1
Definition date:2018-06-10
Last modified:2018-07-13
Release date:2018-07-18
Identifier:N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
HH4
HH4
Name:4-(4-tert-butylphenyl)-4-oxobutanoic acid
Formula:C14 H18 O3
SMILES:c1(ccc(C(CCC(O)=O)=O)cc1)C(C)(C)C
InChi:InChI=1S/C14H18O3/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7H,8-9H2,1-3H3,(H,16,17)
Definition date:2018-07-02
Last modified:2018-07-13
Release date:2018-07-18
Identifier:4-(4-tert-butylphenyl)-4-oxobutanoic acid
8O0
8O0
Name:Hapalindole A
Formula:C21 H23 Cl N2
SMILES:CC1(C)[CH]2C[CH](Cl)[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
InChi:InChI=1S/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1
Definition date:2017-08-21
Last modified:2018-07-13
Release date:2018-07-18
8P6
8P6
Name:Hapalindole U
Formula:C21 H24 N2
SMILES:CC1(C)[CH]2CC[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
InChi:InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1
Definition date:2017-08-23
Last modified:2018-07-13
Release date:2018-07-18
9N9
9N9
Name:(E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one
Formula:C27 H36 O3
SMILES:C2(C1CCC(C(C(=O)C#C[C@H]=CC)C)C1(CCC2)C)=C/C=C3CC(/C(C(C3)O)=C)O
InChi:InChI=1S/C27H36O3/c1-5-6-7-10-24(28)18(2)22-13-14-23-21(9-8-15-27(22,23)4)12-11-20-16-25(29)19(3)26(30)17-20/h5-6,11-12,18,22-23,25-26,29-30H,3,8-9,13-17H2,1-2,4H3/b6-5+,21-12+/t18-,22+,23-,25+,26+,27+/m0/s1
Definition date:2018-06-05
Last modified:2018-07-13
Release date:2018-07-18
Identifier:(2S,6E)-2-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-6-en-4-yn-3-one
9R9
9R9
Name:1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol
Formula:C13 H15 Cl N2 O
SMILES:C1C(CCCC1)(c3c2cnnc2cc(Cl)c3)O
InChi:InChI=1S/C13H15ClN2O/c14-9-6-11(10-8-15-16-12(10)7-9)13(17)4-2-1-3-5-13/h6-8,17H,1-5H2,(H,15,16)
Definition date:2018-06-27
Last modified:2018-07-13
Release date:2018-07-18
Identifier:1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol

227344

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