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W5P
W5P
Name:4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:C11 H13 F N4
SMILES:c1nc3nccc3c(n1)N2CCCC(F)C2
InChi:InChI=1S/C11H13FN4/c12-8-2-1-5-16(6-8)11-9-3-4-13-10(9)14-7-15-11/h3-4,7-8H,1-2,5-6H2,(H,13,14,15)/t8-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
W5S
W5S
Name:7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:C13 H14 N4 O
SMILES:n1(c2c(c(c1C)C)c(ncn2)N)Cc3ccco3
InChi:InChI=1S/C13H14N4O/c1-8-9(2)17(6-10-4-3-5-18-10)13-11(8)12(14)15-7-16-13/h3-5,7H,6H2,1-2H3,(H2,14,15,16)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
W6A
W6A
Name:4-chloro-1H-indole-2-carboxylic acid
Formula:C9 H6 Cl N O2
SMILES:c2cc1c(cc(C(O)=O)n1)c(c2)Cl
InChi:InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-chloro-1H-indole-2-carboxylic acid
W6D
W6D
Name:1H-indole-4-carboxamide
Formula:C9 H8 N2 O
SMILES:c2nc1cccc(C(N)=O)c1c2
InChi:InChI=1S/C9H8N2O/c10-9(12)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,(H2,10,12)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1H-indole-4-carboxamide
W6G
W6G
Name:N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Formula:C8 H7 N3 O2 S2
SMILES:c1(ccccc1)S(Nc2scnn2)(=O)=O
InChi:InChI=1S/C8H7N3O2S2/c12-15(13,7-4-2-1-3-5-7)11-8-10-9-6-14-8/h1-6H,(H,10,11)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
W6J
W6J
Name:1-(pyridin-2-yl)-1,4-diazepane
Formula:C10 H15 N3
SMILES:C2CN(c1ncccc1)CCCN2
InChi:InChI=1S/C10H15N3/c1-2-6-12-10(4-1)13-8-3-5-11-7-9-13/h1-2,4,6,11H,3,5,7-9H2
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1-(pyridin-2-yl)-1,4-diazepane
W6M
W6M
Name:3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
Formula:C12 H11 N3 O4
SMILES:c2(C(NCc1nc(C)no1)=O)cccc(C(O)=O)c2
InChi:InChI=1S/C12H11N3O4/c1-7-14-10(19-15-7)6-13-11(16)8-3-2-4-9(5-8)12(17)18/h2-5H,6H2,1H3,(H,13,16)(H,17,18)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid
W6P
W6P
Name:1,3-dihydro-2H-indol-2-one
Formula:C8 H7 N O
SMILES:C2(=O)Cc1c(cccc1)N2
InChi:InChI=1S/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:1,3-dihydro-2H-indol-2-one
W6S
W6S
Name:4-(1H-pyrazol-3-yl)piperidine
Formula:C8 H13 N3
SMILES:c2cc(C1CCNCC1)nn2
InChi:InChI=1S/C8H13N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h3,6-7,9H,1-2,4-5H2,(H,10,11)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-(1H-pyrazol-3-yl)piperidine
W6V
W6V
Name:N-(1,3-thiazol-2-yl)benzamide
Formula:C10 H8 N2 O S
SMILES:c2c(C(=O)Nc1nccs1)cccc2
InChi:InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-(1,3-thiazol-2-yl)benzamide
W7S
W7S
Name:N-benzylpyrazine-2-carboxamide
Formula:C12 H11 N3 O
SMILES:c2c(CNC(c1cnccn1)=O)cccc2
InChi:InChI=1S/C12H11N3O/c16-12(11-9-13-6-7-14-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16)
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-benzylpyrazine-2-carboxamide
W7V
W7V
Name:(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
Formula:C11 H15 N3 O
SMILES:C1CCC3C1(C(N(C)c2cnnc2)=O)C3
InChi:InChI=1S/C11H15N3O/c1-14(9-6-12-13-7-9)10(15)11-4-2-3-8(11)5-11/h6-8H,2-5H2,1H3,(H,12,13)/t8-,11-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide
W7Y
W7Y
Name:4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
Formula:C14 H18 N4
SMILES:c1(ncnc2nccc12)N4C(C3CCC3)CCC4
InChi:InChI=1S/C14H18N4/c1-3-10(4-1)12-5-2-8-18(12)14-11-6-7-15-13(11)16-9-17-14/h6-7,9-10,12H,1-5,8H2,(H,15,16,17)/t12-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
W8A
W8A
Name:{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
Formula:C8 H12 N2 O4 S
SMILES:CC(C(N1CCNC1=O)=O)SCC(=O)O
InChi:InChI=1S/C8H12N2O4S/c1-5(15-4-6(11)12)7(13)10-3-2-9-8(10)14/h5H,2-4H2,1H3,(H,9,14)(H,11,12)/t5-/m0/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid
W8D
W8D
Name:3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine
Formula:C10 H13 N5 O
SMILES:C3(CN2C=NC(=C1N=CN=C12)N)CCCO3
InChi:InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine
W8J
W8J
Name:3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine
Formula:C12 H17 N5 O
SMILES:C(CN2C=NC(=C1N=CN=C12)N)CC3COCC3
InChi:InChI=1S/C12H17N5O/c13-11-10-12(15-7-14-10)17(8-16-11)4-1-2-9-3-5-18-6-9/h7-9H,1-6,13H2/t9-/m0/s1
Definition date:2020-09-29
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine
WB1
WB1
Name:6-methyl-1H-indole-3-carboxylic acid
Formula:C10 H9 N O2
SMILES:c1c(C)ccc2c(C(O)=O)cnc12
InChi:InChI=1S/C10H9NO2/c1-6-2-3-7-8(10(12)13)5-11-9(7)4-6/h2-5,11H,1H3,(H,12,13)
Definition date:2020-10-05
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6-methyl-1H-indole-3-carboxylic acid
WTA
WTA
Name:5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
Formula:C12 H18 N5 O7 P
SMILES:C1(C(C(O)C(COP(O)(=O)OCC)O1)O)n2c3c(nc2)c(N)ncn3
InChi:InChI=1S/C12H18N5O7P/c1-2-22-25(20,21)23-3-6-8(18)9(19)12(24-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H,20,21)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1
Definition date:2020-11-06
Last modified:2020-12-11
Release date:2020-12-16
Identifier:5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine
X2Y
X2Y
Name:2,4-di-O-sulfo-alpha-L-fucopyranose
Formula:C6 H12 O11 S2
SMILES:C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C
InChi:InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1
Synonyms:6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose
Definition date:2020-11-23
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose
X34
X34
Name:4-O-sulfo-alpha-L-fucopyranose
Formula:C6 H12 O8 S
SMILES:C1(C(OS(O)(=O)=O)C(O)C(O)C(O)O1)C
InChi:InChI=1S/C6H12O8S/c1-2-5(14-15(10,11)12)3(7)4(8)6(9)13-2/h2-9H,1H3,(H,10,11,12)/t2-,3-,4-,5+,6+/m0/s1
Synonyms:6-deoxy-4-O-sulfo-alpha-L-galactopyranose
Definition date:2020-11-23
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6-deoxy-4-O-sulfo-alpha-L-galactopyranose
X6Y
X6Y
Name:2-O-sulfo-alpha-L-fucopyranose
Formula:C6 H12 O8 S
SMILES:C1(C)C(O)C(C(C(O1)O)OS(=O)(O)=O)O
InChi:InChI=1S/C6H12O8S/c1-2-3(7)4(8)5(6(9)13-2)14-15(10,11)12/h2-9H,1H3,(H,10,11,12)/t2-,3+,4+,5-,6+/m0/s1
Synonyms:6-deoxy-2-O-sulfo-alpha-L-galactopyranose
Definition date:2020-12-01
Last modified:2020-12-11
Release date:2020-12-16
Identifier:6-deoxy-2-O-sulfo-alpha-L-galactopyranose
X7V
X7V
Name:N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
Formula:C32 H27 N3 O3
SMILES:c5(C(N(C(=O)c1ccco1)c3ccc(c2ccccc2)cc3)C(NC(C)c4ccccc4)=O)cnccc5
InChi:InChI=1S/C32H27N3O3/c1-23(24-10-4-2-5-11-24)34-31(36)30(27-14-8-20-33-22-27)35(32(37)29-15-9-21-38-29)28-18-16-26(17-19-28)25-12-6-3-7-13-25/h2-23,30H,1H3,(H,34,36)/t23-,30+/m0/s1
Definition date:2020-12-03
Last modified:2020-12-11
Release date:2020-12-16
Identifier:N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
SZW
SZW
Name:3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
Formula:C19 H21 Cl N6
SMILES:CN([CH]1CCCN(CCC#N)C1)c2ncnc3[nH]c4cc(Cl)ccc4c23
InChi:InChI=1S/C19H21ClN6/c1-25(14-4-2-8-26(11-14)9-3-7-21)19-17-15-6-5-13(20)10-16(15)24-18(17)22-12-23-19/h5-6,10,12,14H,2-4,8-9,11H2,1H3,(H,22,23,24)/t14-/m0/s1
Definition date:2020-12-08
Last modified:2020-12-11
Release date:2020-12-16
Identifier:3-[(3~{S})-3-[(7-chloranyl-9~{H}-pyrimido[4,5-b]indol-4-yl)-methyl-amino]piperidin-1-yl]propanenitrile
D6O
D6O
Name:(~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid
Formula:C5 H5 N O4
SMILES:OC(=O)C=CC(=O)NC=O
InChi:InChI=1S/C5H5NO4/c7-3-6-4(8)1-2-5(9)10/h1-3H,(H,9,10)(H,6,7,8)/b2-1-
Definition date:2019-07-11
Last modified:2020-12-11
Release date:2020-12-16
Identifier:(~{Z})-4-formamido-4-oxidanylidene-but-2-enoic acid
DS9
DS9
Name:(2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
Formula:C16 H15 F N4 O
SMILES:C[C]12CCCN1CC3=NNC(=O)c4cc(F)cc5[nH]c2c3c45
InChi:InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1
Definition date:2019-08-23
Last modified:2020-12-11
Release date:2020-12-16

238582

數據於2025-07-09公開中

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