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6ZF
6ZF
Name:7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
Formula:C20 H25 N7
SMILES:CN(C)c1ccc(cn1)c2cc3nccnc3c(NC[CH]4CCCNC4)n2
InChi:InChI=1S/C20H25N7/c1-27(2)18-6-5-15(13-24-18)16-10-17-19(23-9-8-22-17)20(26-16)25-12-14-4-3-7-21-11-14/h5-6,8-10,13-14,21H,3-4,7,11-12H2,1-2H3,(H,25,26)/t14-/m0/s1
Definition date:2016-07-30
Last modified:2016-09-09
Release date:2016-09-14
Identifier:7-[6-(dimethylamino)pyridin-3-yl]-~{N}-[[(3~{S})-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
6ZG
6ZG
Name:~{N}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
Formula:C18 H21 N5
SMILES:Cc1ccc(cc1)c2cc3nccnc3c(NCCCCN)n2
InChi:InChI=1S/C18H21N5/c1-13-4-6-14(7-5-13)15-12-16-17(21-11-10-20-16)18(23-15)22-9-3-2-8-19/h4-7,10-12H,2-3,8-9,19H2,1H3,(H,22,23)
Definition date:2016-07-30
Last modified:2016-09-09
Release date:2016-09-14
Identifier:~{N}'-[7-(4-methylphenyl)pyrido[3,4-b]pyrazin-5-yl]butane-1,4-diamine
63T
63T
Name:[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
Formula:C5 H9 O7 P
SMILES:O(CC1OC(CC1O)=O)P(O)(O)=O
InChi:InChI=1S/C5H9O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-4,6H,1-2H2,(H2,8,9,10)/t3-,4+/m0/s1
Definition date:2016-01-21
Last modified:2016-09-09
Release date:2016-09-14
Identifier:[(2R,3S)-3-hydroxy-5-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
4W1
4W1
Name:1-benzothiophen-3-ylmethanol
Formula:C9 H8 O S
SMILES:c1c2c(ccc1)c(cs2)CO
InChi:InChI=1S/C9H8OS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,10H,5H2
Definition date:2015-06-09
Last modified:2016-09-09
Release date:2016-09-14
Identifier:1-benzothiophen-3-ylmethanol
GN2
GN2
Name:(2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
Formula:C25 H23 Cl N2 O3 S2
SMILES:OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4ccc(cc4)N5CCOCC5
InChi:InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,29H,10-13,15H2,(H,27,30)/t25-/m0/s1
Definition date:2016-07-28
Last modified:2016-09-09
Release date:2016-09-14
Identifier:(2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
55T
55T
Name:5'-O-[(R)-[(S)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine
Formula:C18 H24 N4 O12 P2
SMILES:N1(C=CC(=NC1=O)N)C2C(C(C(O2)COP(=O)(O)OC(P(O)(=O)O)c3cc(ccc3)NC(C)=O)O)O
InChi:InChI=1S/C18H24N4O12P2/c1-9(23)20-11-4-2-3-10(7-11)17(35(27,28)29)34-36(30,31)32-8-12-14(24)15(25)16(33-12)22-6-5-13(19)21-18(22)26/h2-7,12,14-17,24-25H,8H2,1H3,(H,20,23)(H,30,31)(H2,19,21,26)(H2,27,28,29)/t12-,14-,15-,16-,17+/m1/s1
Definition date:2015-07-30
Last modified:2016-09-02
Release date:2016-09-07
Identifier:5'-O-[(R)-[(S)-[3-(acetylamino)phenyl](phosphono)methoxy](hydroxy)phosphoryl]cytidine
58Y
58Y
Name:(2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
Formula:C8 H15 N O4 S
SMILES:C12C(C(C(O)C(CO)O1)O)NC(S2)C
InChi:InChI=1S/C8H15NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h3-12H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1
Definition date:2015-08-26
Last modified:2016-09-02
Release date:2016-09-07
Identifier:(2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
59B
59B
Name:morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
Formula:C19 H17 N7 O2
SMILES:c4c(Nc1c3n(c2c(n1)cccc2)nnn3)ccc(c4)C(=O)N5CCOCC5
InChi:InChI=1S/C19H17N7O2/c27-19(25-9-11-28-12-10-25)13-5-7-14(8-6-13)20-17-18-22-23-24-26(18)16-4-2-1-3-15(16)21-17/h1-8H,9-12H2,(H,20,21)
Definition date:2015-08-26
Last modified:2016-09-02
Release date:2016-09-07
Identifier:morpholin-4-yl[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
67P
67P
Name:N-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide
Formula:C21 H17 Cl F N3 O4 S
SMILES:c1ccc(cc1)C(=O)NNC(=O)c2ccc(cc2)CNS(c3cc(c(cc3)F)Cl)(=O)=O
InChi:InChI=1S/C21H17ClFN3O4S/c22-18-12-17(10-11-19(18)23)31(29,30)24-13-14-6-8-16(9-7-14)21(28)26-25-20(27)15-4-2-1-3-5-15/h1-12,24H,13H2,(H,25,27)(H,26,28)
Definition date:2016-02-15
Last modified:2016-09-02
Release date:2016-09-07
Identifier:N-({4-[2-(benzenecarbonyl)hydrazinecarbonyl]phenyl}methyl)-3-chloro-4-fluorobenzene-1-sulfonamide
6JS
6JS
Name:3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C20 H15 N5 O3
SMILES:c12nnc(c1c(ncn2)Nc3cc(ccc3OC)c4occc4)c5ccco5
InChi:InChI=1S/C20H15N5O3/c1-26-15-7-6-12(14-4-2-8-27-14)10-13(15)23-19-17-18(16-5-3-9-28-16)24-25-20(17)22-11-21-19/h2-11H,1H3,(H2,21,22,23,24,25)
Definition date:2016-04-19
Last modified:2016-09-02
Release date:2016-09-07
Identifier:3-(furan-2-yl)-N-[5-(furan-2-yl)-2-methoxyphenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
6OW
6OW
Name:2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine
Formula:C12 H12 N4
SMILES:c2(nc1cc(C)ccn1c2c3ccnn3)C
InChi:InChI=1S/C12H12N4/c1-8-4-6-16-11(7-8)14-9(2)12(16)10-3-5-13-15-10/h3-7H,1-2H3,(H,13,15)
Definition date:2016-05-17
Last modified:2016-09-02
Release date:2016-09-07
Identifier:2,7-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine
6OZ
6OZ
Name:2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
Formula:C17 H19 N3 S
SMILES:c1(ccccc1)C(c2nnc(c2)c3c(C)nc(C)s3)(C)C
InChi:InChI=1S/C17H19N3S/c1-11-16(21-12(2)18-11)14-10-15(20-19-14)17(3,4)13-8-6-5-7-9-13/h5-10H,1-4H3,(H,19,20)
Definition date:2016-05-17
Last modified:2016-09-02
Release date:2016-09-07
Identifier:2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
6P0
6P0
Name:5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole
Formula:C18 H20 N4 O
SMILES:C1C(C1)(c3cc(c2cn(nc2C)C)nn3)c4ccc(cc4)OC
InChi:InChI=1S/C18H20N4O/c1-12-15(11-22(2)21-12)16-10-17(20-19-16)18(8-9-18)13-4-6-14(23-3)7-5-13/h4-7,10-11H,8-9H2,1-3H3,(H,19,20)
Definition date:2016-05-17
Last modified:2016-09-02
Release date:2016-09-07
Identifier:5-[1-(4-methoxyphenyl)cyclopropyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole
6P1
6P1
Name:5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
Formula:C17 H19 N3 O S
SMILES:c1(sc(c(C)n1)c3nnc(C(C)c2ccc(cc2)OC)c3)C
InChi:InChI=1S/C17H19N3OS/c1-10(13-5-7-14(21-4)8-6-13)15-9-16(20-19-15)17-11(2)18-12(3)22-17/h5-10H,1-4H3,(H,19,20)/t10-/m1/s1
Definition date:2016-05-17
Last modified:2016-09-02
Release date:2016-09-07
Identifier:5-{3-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
6P2
6P2
Name:5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
Formula:C18 H19 N3 O S
SMILES:C2C(c1ccc(OC)cc1)(C2)c4cc(c3sc(nc3C)C)nn4
InChi:InChI=1S/C18H19N3OS/c1-11-17(23-12(2)19-11)15-10-16(21-20-15)18(8-9-18)13-4-6-14(22-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H,20,21)
Definition date:2016-05-17
Last modified:2016-09-02
Release date:2016-09-07
Identifier:5-{3-[1-(4-methoxyphenyl)cyclopropyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
6P4
6P4
Name:2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine
Formula:C12 H12 N4
SMILES:c1cnnc1c3n2cc(ccc2nc3C)C
InChi:InChI=1S/C12H12N4/c1-8-3-4-11-14-9(2)12(16(11)7-8)10-5-6-13-15-10/h3-7H,1-2H3,(H,13,15)
Definition date:2016-05-17
Last modified:2016-09-02
Release date:2016-09-07
Identifier:2,6-dimethyl-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridine
6P5
6P5
Name:4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
Formula:C14 H13 N3 S
SMILES:c1(ccc(cc1)C)c2sc(c(C)n2)c3ccnn3
InChi:InChI=1S/C14H13N3S/c1-9-3-5-11(6-4-9)14-16-10(2)13(18-14)12-7-8-15-17-12/h3-8H,1-2H3,(H,15,17)
Definition date:2016-05-17
Last modified:2016-09-02
Release date:2016-09-07
Identifier:4-methyl-2-(4-methylphenyl)-5-(1H-pyrazol-5-yl)-1,3-thiazole
6PM
6PM
Name:5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole
Formula:C17 H20 N4 O
SMILES:c1c(c(C)nn1C)c3nnc(C(c2ccc(OC)cc2)C)c3
InChi:InChI=1S/C17H20N4O/c1-11(13-5-7-14(22-4)8-6-13)16-9-17(19-18-16)15-10-21(3)20-12(15)2/h5-11H,1-4H3,(H,18,19)/t11-/m0/s1
Definition date:2016-05-18
Last modified:2016-09-02
Release date:2016-09-07
Identifier:5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole
6PQ
6PQ
Name:5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
Formula:C16 H17 N3 O S
SMILES:c3(c2cc(Cc1ccc(OC)cc1)nn2)sc(nc3C)C
InChi:InChI=1S/C16H17N3OS/c1-10-16(21-11(2)17-10)15-9-13(18-19-15)8-12-4-6-14(20-3)7-5-12/h4-7,9H,8H2,1-3H3,(H,18,19)
Definition date:2016-05-18
Last modified:2016-09-02
Release date:2016-09-07
Identifier:5-{3-[(4-methoxyphenyl)methyl]-1H-pyrazol-5-yl}-2,4-dimethyl-1,3-thiazole
6PS
6PS
Name:2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole
Formula:C16 H17 N3 S
SMILES:Cc1sc(c(n1)C)c2nnc(c2)C(c3ccccc3)C
InChi:InChI=1S/C16H17N3S/c1-10(13-7-5-4-6-8-13)14-9-15(19-18-14)16-11(2)17-12(3)20-16/h4-10H,1-3H3,(H,18,19)/t10-/m1/s1
Definition date:2016-05-18
Last modified:2016-09-02
Release date:2016-09-07
Identifier:2,4-dimethyl-5-{3-[(1R)-1-phenylethyl]-1H-pyrazol-5-yl}-1,3-thiazole
6WD
6WD
Name:(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
Formula:C15 H14 F2 N4 S
SMILES:C[C]1(C[CH](SC(=N1)N)c2cncnc2)c3ccc(F)cc3F
InChi:InChI=1S/C15H14F2N4S/c1-15(11-3-2-10(16)4-12(11)17)5-13(22-14(18)21-15)9-6-19-8-20-7-9/h2-4,6-8,13H,5H2,1H3,(H2,18,21)/t13-,15-/m0/s1
Definition date:2016-07-08
Last modified:2016-09-02
Release date:2016-09-07
Identifier:(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-4-methyl-6-pyrimidin-5-yl-5,6-dihydro-1,3-thiazin-2-amine
6WE
6WE
Name:(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
Formula:C16 H17 F2 N3 O S
SMILES:Cc1onc(C)c1[CH]2C[C](C)(N=C(N)S2)c3ccc(F)cc3F
InChi:InChI=1S/C16H17F2N3OS/c1-8-14(9(2)22-21-8)13-7-16(3,20-15(19)23-13)11-5-4-10(17)6-12(11)18/h4-6,13H,7H2,1-3H3,(H2,19,20)/t13-,16-/m0/s1
Definition date:2016-07-08
Last modified:2016-09-02
Release date:2016-09-07
Identifier:(4~{S},6~{S})-4-[2,4-bis(fluoranyl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
6ZT
6ZT
Name:(4~{S})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one
Formula:C32 H34 Cl2 N4 O3
SMILES:COc1ccccc1n2nc3C(=O)N([CH](c4ccc(Cl)cc4C)c3c2C(C)C)c5cc(Cl)ccc5OCCN(C)C
InChi:InChI=1S/C32H34Cl2N4O3/c1-19(2)30-28-29(35-38(30)24-9-7-8-10-26(24)40-6)32(39)37(31(28)23-13-11-21(33)17-20(23)3)25-18-22(34)12-14-27(25)41-16-15-36(4)5/h7-14,17-19,31H,15-16H2,1-6H3/t31-/m0/s1
Definition date:2016-08-03
Last modified:2016-09-02
Release date:2016-09-07
Identifier:(4~{S})-5-[5-chloranyl-2-[2-(dimethylamino)ethoxy]phenyl]-4-(4-chloranyl-2-methyl-phenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one
60B
60B
Name:~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
Formula:C20 H22 N8 O2 S
SMILES:CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)c4cnn(c4)[S](=O)(=O)C5CC5)cc12
InChi:InChI=1S/C20H22N8O2S/c1-12(2)28-13(3)24-16-10-22-19(8-17(16)28)25-18-6-7-21-20(26-18)14-9-23-27(11-14)31(29,30)15-4-5-15/h6-12,15H,4-5H2,1-3H3,(H,21,22,25,26)
Definition date:2016-01-07
Last modified:2016-09-02
Release date:2016-09-07
Identifier:~{N}-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
60D
60D
Name:6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide
Formula:C26 H30 N8 O4 S
SMILES:CC(C)n1cc(C(=O)NC2CCOCC2)c3cnc(Nc4ccnc(n4)c5cnn(c5)[S](=O)(=O)C6CC6)cc13
InChi:InChI=1S/C26H30N8O4S/c1-16(2)33-15-21(26(35)30-18-6-9-38-10-7-18)20-13-28-24(11-22(20)33)31-23-5-8-27-25(32-23)17-12-29-34(14-17)39(36,37)19-3-4-19/h5,8,11-16,18-19H,3-4,6-7,9-10H2,1-2H3,(H,30,35)(H,27,28,31,32)
Definition date:2016-01-07
Last modified:2016-09-02
Release date:2016-09-07
Identifier:6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]-~{N}-(oxan-4-yl)-1-propan-2-yl-pyrrolo[3,2-c]pyridine-3-carboxamide

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