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68O
68O
Name:5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
Formula:C14 H12 F2 O2
SMILES:Fc1c(cccc1)Oc2cc(F)c(CC)cc2O
InChi:InChI=1S/C14H12F2O2/c1-2-9-7-12(17)14(8-11(9)16)18-13-6-4-3-5-10(13)15/h3-8,17H,2H2,1H3
Definition date:2016-02-17
Last modified:2017-02-17
Release date:2017-02-22
Identifier:5-ethyl-4-fluoro-2-(2-fluorophenoxy)phenol
68R
68R
Name:2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one
Formula:C25 H19 Cl N8 O
SMILES:C2(N(c1ccccc1)C(=Nc3cccc(Cl)c23)C(C)Nc4c(c(N)ncn4)C#Cc5cnnc5)=O
InChi:InChI=1S/C25H19ClN8O/c1-15(32-23-18(22(27)28-14-29-23)11-10-16-12-30-31-13-16)24-33-20-9-5-8-19(26)21(20)25(35)34(24)17-6-3-2-4-7-17/h2-9,12-15H,1H3,(H,30,31)(H3,27,28,29,32)/t15-/m0/s1
Definition date:2016-02-17
Last modified:2017-02-17
Release date:2017-02-22
Identifier:2-[(1S)-1-({6-amino-5-[(1H-pyrazol-4-yl)ethynyl]pyrimidin-4-yl}amino)ethyl]-5-chloro-3-phenylquinazolin-4(3H)-one
69H
69H
Name:4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
Formula:C19 H23 F O2
SMILES:CCCCCCc1c(F)cc(c(c1)O)Oc2ccccc2C
InChi:InChI=1S/C19H23FO2/c1-3-4-5-6-10-15-12-17(21)19(13-16(15)20)22-18-11-8-7-9-14(18)2/h7-9,11-13,21H,3-6,10H2,1-2H3
Definition date:2016-02-19
Last modified:2017-02-17
Release date:2017-02-22
Identifier:4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol
69J
69J
Name:5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
Formula:C14 H12 F N O4
SMILES:[O-][N+](=O)c1ccccc1Oc2cc(F)c(cc2O)CC
InChi:InChI=1S/C14H12FNO4/c1-2-9-7-12(17)14(8-10(9)15)20-13-6-4-3-5-11(13)16(18)19/h3-8,17H,2H2,1H3
Definition date:2016-02-21
Last modified:2017-02-17
Release date:2017-02-22
Identifier:5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol
69K
69K
Name:5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
Formula:C14 H14 F N O2
SMILES:Cc1ncccc1Oc2cc(F)c(cc2O)CC
InChi:InChI=1S/C14H14FNO2/c1-3-10-7-12(17)14(8-11(10)15)18-13-5-4-6-16-9(13)2/h4-8,17H,3H2,1-2H3
Definition date:2016-02-21
Last modified:2017-02-17
Release date:2017-02-22
Identifier:5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol
6AQ
6AQ
Name:1-(4-fluorophenyl)-1H-imidazole
Formula:C9 H7 F N2
SMILES:c2ncn(c1ccc(F)cc1)c2
InChi:InChI=1S/C9H7FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:2016-02-26
Last modified:2017-02-17
Release date:2017-02-22
Identifier:1-(4-fluorophenyl)-1H-imidazole
6AR
6AR
Name:1-(4-bromophenyl)-1H-imidazole
Formula:C9 H7 Br N2
SMILES:Brc1ccc(cc1)n2ccnc2
InChi:InChI=1S/C9H7BrN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
Definition date:2016-02-26
Last modified:2017-02-17
Release date:2017-02-22
Identifier:1-(4-bromophenyl)-1H-imidazole
6AV
6AV
Name:5-chloro-2-(1H-imidazol-1-yl)aniline
Formula:C9 H8 Cl N3
SMILES:n2(c1ccc(Cl)cc1N)ccnc2
InChi:InChI=1S/C9H8ClN3/c10-7-1-2-9(8(11)5-7)13-4-3-12-6-13/h1-6H,11H2
Definition date:2016-02-26
Last modified:2017-02-17
Release date:2017-02-22
Identifier:5-chloro-2-(1H-imidazol-1-yl)aniline
6AX
6AX
Name:5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
Formula:C9 H8 Cl N3 O
SMILES:c2(Cl)ccc(Cc1nnc(N)o1)cc2
InChi:InChI=1S/C9H8ClN3O/c10-7-3-1-6(2-4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13)
Definition date:2016-02-26
Last modified:2017-02-17
Release date:2017-02-22
Identifier:5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
6AY
6AY
Name:N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C13 H12 Cl N5
SMILES:c1cc(Cl)ccc1CNc2c3c(ncn2)n(C)nc3
InChi:InChI=1S/C13H12ClN5/c1-19-13-11(7-18-19)12(16-8-17-13)15-6-9-2-4-10(14)5-3-9/h2-5,7-8H,6H2,1H3,(H,15,16,17)
Definition date:2016-02-26
Last modified:2017-02-17
Release date:2017-02-22
Identifier:N-[(4-chlorophenyl)methyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
6B1
6B1
Name:(5,6-dichloro-1H-benzimidazol-2-yl)methanol
Formula:C8 H6 Cl2 N2 O
SMILES:c2(cc1nc(nc1cc2Cl)CO)Cl
InChi:InChI=1S/C8H6Cl2N2O/c9-4-1-6-7(2-5(4)10)12-8(3-13)11-6/h1-2,13H,3H2,(H,11,12)
Definition date:2016-02-26
Last modified:2017-02-17
Release date:2017-02-22
Identifier:(5,6-dichloro-1H-benzimidazol-2-yl)methanol
6BM
6BM
Name:[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid
Formula:C5 H10 N O5 P
SMILES:N1(O)CCCC(C1=O)P(O)(=O)O
InChi:InChI=1S/C5H10NO5P/c7-5-4(12(9,10)11)2-1-3-6(5)8/h4,8H,1-3H2,(H2,9,10,11)/t4-/m0/s1
Definition date:2016-03-02
Last modified:2017-02-17
Release date:2017-02-22
Identifier:[(3S)-1-hydroxy-2-oxopiperidin-3-yl]phosphonic acid
6W0
6W0
Name:~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
Formula:C16 H16 N2 O2 S
SMILES:COCc1cccc(NC(=O)c2cc3sccc3n2C)c1
InChi:InChI=1S/C16H16N2O2S/c1-18-13-6-7-21-15(13)9-14(18)16(19)17-12-5-3-4-11(8-12)10-20-2/h3-9H,10H2,1-2H3,(H,17,19)
Definition date:2016-07-08
Last modified:2017-02-17
Release date:2017-02-22
Identifier:~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
6W1
6W1
Name:4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:C26 H27 N3 O3 S
SMILES:Cn1c(cc2sccc12)C(=O)Nc3ccccc3COc4ccc(OC[CH]5CCNC5)cc4
InChi:InChI=1S/C26H27N3O3S/c1-29-23-11-13-33-25(23)14-24(29)26(30)28-22-5-3-2-4-19(22)17-32-21-8-6-20(7-9-21)31-16-18-10-12-27-15-18/h2-9,11,13-14,18,27H,10,12,15-17H2,1H3,(H,28,30)/t18-/m1/s1
Definition date:2016-07-08
Last modified:2017-02-17
Release date:2017-02-22
Identifier:4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
6W3
6W3
Name:4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:C27 H29 N3 O3 S
SMILES:CN1CCC(CC1)Oc2ccc(OCc3ccccc3NC(=O)c4cc5sccc5n4C)cc2
InChi:InChI=1S/C27H29N3O3S/c1-29-14-11-22(12-15-29)33-21-9-7-20(8-10-21)32-18-19-5-3-4-6-23(19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,22H,11-12,14-15,18H2,1-2H3,(H,28,31)
Definition date:2016-07-08
Last modified:2017-02-17
Release date:2017-02-22
Identifier:4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
6X0
6X0
Name:4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:C29 H33 N3 O4 S
SMILES:CCn1c(cc2sccc12)C(=O)Nc3cccc(COC)c3COc4ccc(OC[CH]5CCNC5)cc4
InChi:InChI=1S/C29H33N3O4S/c1-3-32-26-12-14-37-28(26)15-27(32)29(33)31-25-6-4-5-21(18-34-2)24(25)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
Definition date:2016-07-12
Last modified:2017-02-17
Release date:2017-02-22
Identifier:4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
6X3
6X3
Name:4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Formula:C27 H29 N3 O3 S
SMILES:CN1CCC(CC1)Oc2ccc(OCc3ccc(NC(=O)c4cc5sccc5n4C)cc3)cc2
InChi:InChI=1S/C27H29N3O3S/c1-29-14-11-23(12-15-29)33-22-9-7-21(8-10-22)32-18-19-3-5-20(6-4-19)28-27(31)25-17-26-24(30(25)2)13-16-34-26/h3-10,13,16-17,23H,11-12,14-15,18H2,1-2H3,(H,28,31)
Definition date:2016-07-12
Last modified:2017-02-17
Release date:2017-02-22
Identifier:4-methyl-~{N}-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
6X5
6X5
Name:~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
Formula:C29 H33 N3 O4 S
SMILES:CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc4ccc(OC[CH]5CCNC5)cc4
InChi:InChI=1S/C29H33N3O4S/c1-3-34-18-21-5-4-6-25(31-29(33)27-15-28-26(32(27)2)12-14-37-28)24(21)19-36-23-9-7-22(8-10-23)35-17-20-11-13-30-16-20/h4-10,12,14-15,20,30H,3,11,13,16-19H2,1-2H3,(H,31,33)/t20-/m1/s1
Definition date:2016-07-12
Last modified:2017-02-17
Release date:2017-02-22
Identifier:~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide
74D
74D
Name:1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide
Formula:C28 H36 F2 N4 O3
SMILES:COC1=CC(=NC(=O)[CH]1CNC(=O)c2c(C)n([CH](C)C3CCN(CC3)CC(C)(F)F)c4ccccc24)C
InChi:InChI=1S/C28H36F2N4O3/c1-17-14-24(37-5)22(26(35)32-17)15-31-27(36)25-19(3)34(23-9-7-6-8-21(23)25)18(2)20-10-12-33(13-11-20)16-28(4,29)30/h6-9,14,18,20,22H,10-13,15-16H2,1-5H3,(H,31,36)/t18-,22+/m1/s1
Definition date:2016-08-23
Last modified:2017-02-17
Release date:2017-02-22
Identifier:1-[(1~{R})-1-[1-[2,2-bis(fluoranyl)propyl]piperidin-4-yl]ethyl]-~{N}-[(4-methoxy-6-methyl-2-oxidanylidene-3~{H}-pyridin-3-yl)methyl]-2-methyl-indole-3-carboxamide
753
753
Name:5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
Formula:C17 H17 N3 O2 S
SMILES:c1(C)c(C(=O)O)sc2c1c(nc(n2)CCc3ccccc3)NC
InChi:InChI=1S/C17H17N3O2S/c1-10-13-15(18-2)19-12(9-8-11-6-4-3-5-7-11)20-16(13)23-14(10)17(21)22/h3-7H,8-9H2,1-2H3,(H,21,22)(H,18,19,20)
Definition date:2016-08-25
Last modified:2017-02-17
Release date:2017-02-22
Identifier:5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid
79C
79C
Name:4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Formula:C27 H35 F2 N7 O3
SMILES:c2c(C(=O)NC1CCN(CC1)C)ccc(c2OC)Nc3ncc4c(n3)N(CC(C(N4C)=O)(F)F)C5CCCC5
InChi:InChI=1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)
Definition date:2016-09-15
Last modified:2017-02-17
Release date:2017-02-22
Identifier:4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
79D
79D
Name:4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
Formula:C30 H37 N9 O2
SMILES:C1(CCCC1)N5C(CC)c6n(c4c5nc(Nc2ccc(cc2OC)C(NC3CCN(C)CC3)=O)nc4)cnc6C#N
InChi:InChI=1S/C30H37N9O2/c1-4-24-27-23(16-31)33-18-38(27)25-17-32-30(36-28(25)39(24)21-7-5-6-8-21)35-22-10-9-19(15-26(22)41-3)29(40)34-20-11-13-37(2)14-12-20/h9-10,15,17-18,20-21,24H,4-8,11-14H2,1-3H3,(H,34,40)(H,32,35,36)/t24-/m1/s1
Definition date:2016-09-15
Last modified:2017-02-17
Release date:2017-02-22
Identifier:4-{[(6R)-7-cyano-5-cyclopentyl-6-ethyl-5,6-dihydroimidazo[1,5-f]pteridin-3-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
7F9
7F9
Name:~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
Formula:C18 H20 N2 O5
SMILES:CCNC(=O)CN(C(=O)c1ccc(O)cc1O)c2ccc(OC)cc2
InChi:InChI=1S/C18H20N2O5/c1-3-19-17(23)11-20(12-4-7-14(25-2)8-5-12)18(24)15-9-6-13(21)10-16(15)22/h4-10,21-22H,3,11H2,1-2H3,(H,19,23)
Definition date:2016-10-18
Last modified:2017-02-17
Release date:2017-02-22
Identifier:~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
7FE
7FE
Name:~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
Formula:C30 H29 Cl N4 O3
SMILES:Cc1cnc(Cl)nc1c2ccc(cc2)N(Cc3ccc(CN4CCCC4)cc3)C(=O)c5ccc(O)cc5O
InChi:InChI=1S/C30H29ClN4O3/c1-20-17-32-30(31)33-28(20)23-8-10-24(11-9-23)35(29(38)26-13-12-25(36)16-27(26)37)19-22-6-4-21(5-7-22)18-34-14-2-3-15-34/h4-13,16-17,36-37H,2-3,14-15,18-19H2,1H3
Definition date:2016-10-19
Last modified:2017-02-17
Release date:2017-02-22
Identifier:~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2,4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
7FF
7FF
Name:methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate
Formula:C11 H14 N2 O2
SMILES:COC(=O)N1CCCc2cc(N)ccc12
InChi:InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3
Definition date:2016-10-19
Last modified:2017-02-17
Release date:2017-02-22
Identifier:methyl 6-azanyl-3,4-dihydro-2~{H}-quinoline-1-carboxylate

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