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QGK
QGK
Name:(1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
Formula:C12 H14 N2
SMILES:C[CH]1NCCc2c1[nH]c3ccccc23
InChi:InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m0/s1
Definition date:2020-06-16
Last modified:2020-08-28
Release date:2020-09-02
Identifier:(1~{S})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole
QKK
QKK
Name:5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
Formula:C12 H11 F2 N7 O5 S2
SMILES:NC(=N)NNC(=O)Nc1c(F)cc(cc1F)[S](=O)(=O)Nc2scnc2C(O)=O
InChi:InChI=1S/C12H11F2N7O5S2/c13-5-1-4(2-6(14)7(5)18-12(24)20-19-11(15)16)28(25,26)21-9-8(10(22)23)17-3-27-9/h1-3,21H,(H,22,23)(H4,15,16,19)(H2,18,20,24)
Definition date:2020-06-22
Last modified:2020-08-28
Release date:2020-09-02
Identifier:5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
K6G
K6G
Name:[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
Formula:C24 H51 N O7 P
SMILES:CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N](C)(C)C
InChi:InChI=1S/C24H51NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3,(H,28,29)
Definition date:2018-11-01
Last modified:2020-08-28
Release date:2020-09-02
Identifier:[(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate
2SL
2SL
Name:(2S)-pentan-2-ol
Formula:C5 H12 O
SMILES:OC(C)CCC
InChi:InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1
Synonyms:(S)-2-pentanol
Definition date:2008-04-13
Last modified:2020-08-28
Release date:2020-09-02
Identifier:(2S)-pentan-2-ol
PZV
PZV
Name:1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
Formula:C16 H15 F N2 O3 S
SMILES:c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c23
InChi:InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3
Definition date:2019-08-30
Last modified:2020-08-28
Release date:2020-09-02
Identifier:1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
SZS
SZS
Name:methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside
Formula:C17 H22 O9
SMILES:C1(C(O)C(C(C(O1)CO)O)OC(=O)CC(=O)OCc2ccccc2)OC
InChi:InChI=1S/C17H22O9/c1-23-17-15(22)16(14(21)11(8-18)25-17)26-13(20)7-12(19)24-9-10-5-3-2-4-6-10/h2-6,11,14-18,21-22H,7-9H2,1H3/t11-,14+,15-,16+,17-/m1/s1
Definition date:2020-03-13
Last modified:2020-08-28
Release date:2020-09-02
Identifier:methyl 3-O-[3-(benzyloxy)-3-oxopropanoyl]-beta-D-galactopyranoside
EZ6
EZ6
Name:1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
Formula:C24 H17 F4 N7 O2
SMILES:CNc1cc(F)cc2c1[nH]c3ncc(c4cnc(nc4)C5(CC5)C(O)=O)c(n6ccc(n6)C(F)(F)F)c23
InChi:InChI=1S/C24H17F4N7O2/c1-29-15-7-12(25)6-13-17-19(35-5-2-16(34-35)24(26,27)28)14(10-30-20(17)33-18(13)15)11-8-31-21(32-9-11)23(3-4-23)22(36)37/h2,5-10,29H,3-4H2,1H3,(H,30,33)(H,36,37)
Definition date:2020-02-27
Last modified:2020-08-28
Release date:2020-09-02
Identifier:1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid
EZ9
EZ9
Name:3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid
Formula:C26 H23 F4 N7 O3
SMILES:CCNc1cc(F)cc2c1[nH]c3ncc(c4cnc(OCC(C)(C)C(O)=O)nc4)c(n5ccc(n5)C(F)(F)F)c23
InChi:InChI=1S/C26H23F4N7O3/c1-4-31-17-8-14(27)7-15-19-21(37-6-5-18(36-37)26(28,29)30)16(11-32-22(19)35-20(15)17)13-9-33-24(34-10-13)40-12-25(2,3)23(38)39/h5-11,31H,4,12H2,1-3H3,(H,32,35)(H,38,39)
Definition date:2020-02-27
Last modified:2020-08-28
Release date:2020-09-02
Identifier:3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9~{H}-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid
F0U
F0U
Name:5-bromanyl-N-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide
Formula:C18 H14 Br Cl2 N5 O2
SMILES:CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c2cc(Br)nn2c3ncccc3Cl
InChi:InChI=1S/C18H14BrCl2N5O2/c1-9-6-10(20)7-11(17(27)22-2)15(9)24-18(28)13-8-14(19)25-26(13)16-12(21)4-3-5-23-16/h3-8H,1-2H3,(H,22,27)(H,24,28)
Definition date:2020-03-10
Last modified:2020-08-28
Release date:2020-09-02
Identifier:5-bromanyl-~{N}-[4-chloranyl-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloranylpyridin-2-yl)pyrazole-3-carboxamide
U3J
U3J
Name:xanthosine diphosphate
Formula:C10 H14 N4 O12 P2
SMILES:N1C(=O)c2ncn(c2NC1=O)C3C(O)C(C(COP(O)(=O)OP(=O)(O)O)O3)O
InChi:InChI=1S/C10H14N4O12P2/c15-5-3(1-24-28(22,23)26-27(19,20)21)25-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H,22,23)(H2,19,20,21)(H2,12,13,17,18)/t3-,5+,6+,9-/m1/s1
Definition date:2020-04-13
Last modified:2020-08-28
Release date:2020-09-02
Identifier:9-{5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-D-lyxofuranosyl}-3,9-dihydro-1H-purine-2,6-dione
PK5
PK5
Name:2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
Formula:C27 H37 Cl N6 O3
SMILES:CCC1NC2CCC(Cl)CN2C1C(=O)NCc3ccc(cc3)N4CCC(CC4)N5C=C(C)C(=O)NC5=O
InChi:InChI=1S/C27H37ClN6O3/c1-3-22-24(34-16-19(28)6-9-23(34)30-22)26(36)29-14-18-4-7-20(8-5-18)32-12-10-21(11-13-32)33-15-17(2)25(35)31-27(33)37/h4-5,7-8,15,19,21-24,30H,3,6,9-14,16H2,1-2H3,(H,29,36)(H,31,35,37)
Definition date:2020-04-23
Last modified:2020-08-28
Release date:2020-09-02
Identifier:6-chloranyl-2-ethyl-~{N}-[[4-[4-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]piperidin-1-yl]phenyl]methyl]-1,2,3,5,6,7,8,8~{a}-octahydroimidazo[1,2-a]pyridine-3-carboxamide
UFJ
UFJ
Name:N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
Formula:C14 H19 I N2 O3
SMILES:c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I
InChi:InChI=1S/C14H19IN2O3/c15-11-7-9-12(10-8-11)16-13(18)5-3-1-2-4-6-14(19)17-20/h7-10,20H,1-6H2,(H,16,18)(H,17,19)
Definition date:2020-05-14
Last modified:2020-08-28
Release date:2020-09-02
Identifier:N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
UFS
UFS
Name:N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
Formula:C27 H31 N3 O5
SMILES:c1cc(NC(CCCCCCC(NO)=O)=O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O
InChi:InChI=1S/C27H31N3O5/c1-2-3-6-9-24(31)28-22-16-12-20(13-17-22)27(34)21-14-18-23(19-15-21)29-25(32)10-7-4-5-8-11-26(33)30-35/h1,12-19,35H,3-11H2,(H,28,31)(H,29,32)(H,30,33)
Definition date:2020-05-14
Last modified:2020-08-28
Release date:2020-09-02
Identifier:N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
9O8
9O8
Name:[5-(phenylsulfonylaminomethyl)-2~{H}-1,2,3-triazol-4-yl]methyl ethanoate
Formula:C12 H14 N4 O4 S
SMILES:CC(=O)OCc1n[nH]nc1CN[S](=O)(=O)c2ccccc2
InChi:InChI=1S/C12H14N4O4S/c1-9(17)20-8-12-11(14-16-15-12)7-13-21(18,19)10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,14,15,16)
Definition date:2017-06-15
Last modified:2020-08-28
Release date:2020-09-02
Identifier:[5-(phenylsulfonylaminomethyl)-2~{H}-1,2,3-triazol-4-yl]methyl ethanoate
9OB
9OB
Name:~{N}-[[5-[[(phenylmethyl)amino]methyl]-1~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
Formula:C17 H19 N5 O2 S
SMILES:O=[S](=O)(NCc1nn[nH]c1CNCc2ccccc2)c3ccccc3
InChi:InChI=1S/C17H19N5O2S/c23-25(24,15-9-5-2-6-10-15)19-13-17-16(20-22-21-17)12-18-11-14-7-3-1-4-8-14/h1-10,18-19H,11-13H2,(H,20,21,22)
Definition date:2017-06-15
Last modified:2020-08-28
Release date:2020-09-02
Identifier:~{N}-[[5-[[(phenylmethyl)amino]methyl]-1~{H}-1,2,3-triazol-4-yl]methyl]benzenesulfonamide
UXP
UXP
Name:[(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol
Formula:C17 H22 N8 O
SMILES:C1CC1c2cc(nn2)Nc4nc(nc3c4cnn3)N5C(CO)CCCC5
InChi:InChI=1S/C17H22N8O/c26-9-11-3-1-2-6-25(11)17-20-15(12-8-18-24-16(12)21-17)19-14-7-13(22-23-14)10-4-5-10/h7-8,10-11,26H,1-6,9H2,(H3,18,19,20,21,22,23,24)/t11-/m1/s1
Definition date:2020-06-03
Last modified:2020-08-28
Release date:2020-09-02
Identifier:[(2R)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl}piperidin-2-yl]methanol
UYD
UYD
Name:(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
Formula:C21 H26 N8 O
SMILES:C(Nc3nc(Nc1nn(C)c(c1)C(C)(C)C)c2c(nnc2)n3)(CO)c4ccccc4
InChi:InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1
Definition date:2020-06-04
Last modified:2020-08-28
Release date:2020-09-02
Identifier:(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethan-1-ol
UYS
UYS
Name:3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
Formula:C16 H17 N7 O
SMILES:c1(c(N(C)C)nc(N)c(n1)C(N=C(/N)N)=O)C#Cc2ccccc2
InChi:InChI=1S/C16H17N7O/c1-23(2)14-11(9-8-10-6-4-3-5-7-10)20-12(13(17)21-14)15(24)22-16(18)19/h3-7H,1-2H3,(H2,17,21)(H4,18,19,22,24)
Definition date:2020-06-08
Last modified:2020-08-28
Release date:2020-09-02
Identifier:3-amino-N-(diaminomethylidene)-5-(dimethylamino)-6-(phenylethynyl)pyrazine-2-carboxamide
V8Y
V8Y
Name:7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid
Formula:C17 H20 Cl N O4 S
SMILES:Clc1c2cccc(S(NCCCCCCC(=O)O)(=O)=O)c2ccc1
InChi:InChI=1S/C17H20ClNO4S/c18-15-9-5-8-14-13(15)7-6-10-16(14)24(22,23)19-12-4-2-1-3-11-17(20)21/h5-10,19H,1-4,11-12H2,(H,20,21)
Definition date:2020-07-20
Last modified:2020-08-28
Release date:2020-09-02
Identifier:7-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}heptanoic acid
VJ1
VJ1
Name:2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
Formula:C34 H68 N O12 P
SMILES:C(=O)(CC(CCCCCCCCCCC)O)NC1C(OP(O)(O)=O)OC(C(C1OC(CC(CCCCCCCCCCC)O)O)O)CO
InChi:InChI=1S/C34H68NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,30-34,36-38,40-41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,30-,31-,32-,33-,34-/m1/s1
Definition date:2020-08-13
Last modified:2020-08-21
Release date:2020-08-26
Identifier:2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
VJ4
VJ4
Name:2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-alpha-D-glucopyranose
Formula:C22 H44 N O11 P
SMILES:N(C(CC(OC(=O)CCCC)CCCCCCCC)O)C1C(OC(C(OP(O)(=O)O)C1O)CO)O
InChi:InChI=1S/C22H44NO11P/c1-3-5-7-8-9-10-11-15(32-18(26)12-6-4-2)13-17(25)23-19-20(27)21(34-35(29,30)31)16(14-24)33-22(19)28/h15-17,19-25,27-28H,3-14H2,1-2H3,(H2,29,30,31)/t15-,16-,17+,19-,20-,21-,22-/m1/s1
Definition date:2020-08-13
Last modified:2020-08-21
Release date:2020-08-26
Identifier:2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-beta-D-glucopyranose
YR0
YR0
Name:7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:C31 H32 N6 O4 S
SMILES:O=C2C=C(N1CCOCC1)Oc3c(csc23)c4ccc(cc4)Nc5ncc6cc(C(=O)N(C)C)n(c6n5)C7CCCC7
InChi:InChI=1S/C31H32N6O4S/c1-35(2)30(39)24-15-20-17-32-31(34-29(20)37(24)22-5-3-4-6-22)33-21-9-7-19(8-10-21)23-18-42-28-25(38)16-26(41-27(23)28)36-11-13-40-14-12-36/h7-10,15-18,22H,3-6,11-14H2,1-2H3,(H,32,33,34)
Definition date:2020-05-11
Last modified:2020-08-21
Release date:2020-08-26
Identifier:7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
L4Z
L4Z
Name:(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
Formula:C7 H11 N3 O2
SMILES:Cn1nc(C)cc1CNC(O)=O
InChi:InChI=1S/C7H11N3O2/c1-5-3-6(10(2)9-5)4-8-7(11)12/h3,8H,4H2,1-2H3,(H,11,12)
Definition date:2019-07-22
Last modified:2020-08-21
Release date:2020-08-26
Identifier:(2,5-dimethylpyrazol-3-yl)methylcarbamic acid
L5Q
L5Q
Name:5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
Formula:C7 H7 F3 N2 O2
SMILES:Cc1onc(c1)C(=O)NCC(F)(F)F
InChi:InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)
Definition date:2019-07-23
Last modified:2020-08-21
Release date:2020-08-26
Identifier:5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
L5W
L5W
Name:~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide
Formula:C8 H13 N O2
SMILES:ONC(=O)C12CCC(CC1)C2
InChi:InChI=1S/C8H13NO2/c10-7(9-11)8-3-1-6(5-8)2-4-8/h6,11H,1-5H2,(H,9,10)/t6-,8-
Definition date:2019-07-23
Last modified:2020-08-21
Release date:2020-08-26
Identifier:~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide

245011

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