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EIU
EIU
Name:(1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione
Formula:C29 H40 N2 O5
SMILES:CC[CH]1C[CH]2C[CH]3CC=CCC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O
InChi:InChI=1S/C29H40N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,11-12,17-22,25-26,32-33H,3,8-10,13-16H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,11-5+,12-6+,27-23-/t17-,18+,19-,20+,21-,22-,25+,26-/m0/s1
Definition date:2023-06-15
Last modified:2023-11-10
Release date:2023-11-15
XQZ
XQZ
Name:N-T-Butylhydroxylamine
Formula:C4 H11 N O
SMILES:CC(C)(C)NO
InChi:InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3
Synonyms:N-hydroxy-2-methylpropan-2-amine
Definition date:2022-12-05
Last modified:2023-11-06
Release date:2023-07-12
Identifier:N-hydroxy-2-methylpropan-2-amine
XY9
XY9
Name:2,3,4-tri-O-sulfo-beta-D-xylopyranose
Formula:C5 H10 O14 S3
SMILES:OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1
Definition date:2022-08-09
Last modified:2023-11-06
Release date:2023-07-12
Identifier:2,3,4-tri-O-sulfo-beta-D-xylopyranose
S1U
S1U
Name:(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C33 H35 Cl N6 O2
SMILES:CCN1CCN(CC1)c1ccc(NC(=O)CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccccc32)cc1
InChi:InChI=1S/C33H35ClN6O2/c1-2-38-13-15-40(16-14-38)27-11-9-26(10-12-27)36-32(41)22-39-20-24-7-8-25(34)17-29(24)30(21-39)33(42)37-31-19-35-18-23-5-3-4-6-28(23)31/h3-12,17-19,30H,2,13-16,20-22H2,1H3,(H,36,41)(H,37,42)/t30-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QV0
QV0
Name:(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one
Formula:C22 H19 Cl N2 O2
SMILES:Clc1ccc2OCCC3(CCCN(C3=O)c3cncc4ccccc43)c2c1
InChi:InChI=1S/C22H19ClN2O2/c23-16-6-7-20-18(12-16)22(9-11-27-20)8-3-10-25(21(22)26)19-14-24-13-15-4-1-2-5-17(15)19/h1-2,4-7,12-14H,3,8-11H2/t22-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one
L5I
L5I
Name:(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide
Formula:C13 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C(C)CC1CC1
InChi:InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide
VOU
VOU
Name:(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
Formula:C22 H21 N3 O3
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCCC1
InChi:InChI=1S/C22H21N3O3/c23-15-17-14-18-19(8-5-12-25(18)16-17)28-21-7-2-1-6-20(21)27-13-9-22(26)24-10-3-4-11-24/h1-2,5-8,12,14,16H,3-4,9-11,13H2
Definition date:2023-09-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-8-{2-[3-oxo-3-(pyrrolidin-1-yl)propoxy]phenoxy}indolizine-2-carbonitrile
QGX
QGX
Name:(2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:C17 H13 Cl2 N3 O
SMILES:Clc1ccc(cc1Cl)C(N)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C17H13Cl2N3O/c18-13-6-5-10(7-14(13)19)16(20)17(23)22-15-9-21-8-11-3-1-2-4-12(11)15/h1-9,16H,20H2,(H,22,23)/t16-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide
R8X
R8X
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2-methoxyethyl)(methyl)sulfamoyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C23 H25 Cl N4 O4 S
SMILES:COCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H25ClN4O4S/c1-27(9-10-32-2)33(30,31)28-14-17-7-8-18(24)11-20(17)21(15-28)23(29)26-22-13-25-12-16-5-3-4-6-19(16)22/h3-8,11-13,21H,9-10,14-15H2,1-2H3,(H,26,29)/t21-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2-methoxyethyl)(methyl)sulfamoyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RNI
RNI
Name:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C25 H24 Cl N5 O5 S2
SMILES:CS(=O)(=O)Nc1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)S(=O)(=O)CC1(C#N)CC1
InChi:InChI=1S/C25H24ClN5O5S2/c1-37(33,34)30-19-4-5-20-17(8-19)10-28-11-23(20)29-24(32)22-13-31(12-16-2-3-18(26)9-21(16)22)38(35,36)15-25(14-27)6-7-25/h2-5,8-11,22,30H,6-7,12-13,15H2,1H3,(H,29,32)/t22-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QV9
QV9
Name:(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
Formula:C19 H15 Cl N2 O
SMILES:Clc1cccc(c1)C1CCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C19H15ClN2O/c20-15-6-3-5-13(10-15)17-8-9-22(19(17)23)18-12-21-11-14-4-1-2-7-16(14)18/h1-7,10-12,17H,8-9H2/t17-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one
VP2
VP2
Name:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
Formula:C20 H17 F2 N3 O3
SMILES:FC(F)CNC(=O)CCOc1ccccc1Oc1cccn2cc(cc12)C#N
InChi:InChI=1S/C20H17F2N3O3/c21-19(22)12-24-20(26)7-9-27-17-4-1-2-5-18(17)28-16-6-3-8-25-13-14(11-23)10-15(16)25/h1-6,8,10,13,19H,7,9,12H2,(H,24,26)
Definition date:2023-09-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:3-(2-{[(4R)-2-cyanoindolizin-8-yl]oxy}phenoxy)-N-(2,2-difluoroethyl)propanamide
NKU
NKU
Name:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
Formula:C16 H15 Cl N4 O
SMILES:Clc1cccc(c1)CN(C)C(=O)Cn1nnc2ccccc21
InChi:InChI=1S/C16H15ClN4O/c1-20(10-12-5-4-6-13(17)9-12)16(22)11-21-15-8-3-2-7-14(15)18-19-21/h2-9H,10-11H2,1H3
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
QH6
QH6
Name:2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide
Formula:C17 H12 Cl F N2 O
SMILES:Fc1ccc(cc1Cl)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C17H12ClFN2O/c18-14-7-11(5-6-15(14)19)8-17(22)21-16-10-20-9-12-3-1-2-4-13(12)16/h1-7,9-10H,8H2,(H,21,22)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide
R95
R95
Name:(4S)-6-chloro-2-[(cyanomethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C22 H20 Cl N5 O3 S
SMILES:N#CCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H20ClN5O3S/c1-27(9-8-24)32(30,31)28-13-16-6-7-17(23)10-19(16)20(14-28)22(29)26-21-12-25-11-15-4-2-3-5-18(15)21/h2-7,10-12,20H,9,13-14H2,1H3,(H,26,29)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-[(cyanomethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QVG
QVG
Name:(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C19 H13 Cl F2 N2 O2
SMILES:Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2cc(F)c(Cl)cc21
InChi:InChI=1S/C19H13ClF2N2O2/c20-15-6-14-12(3-4-26-18(14)7-16(15)22)19(25)24-17-9-23-8-10-1-2-11(21)5-13(10)17/h1-2,5-9,12H,3-4H2,(H,24,25)/t12-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
O0C
O0C
Name:2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
Formula:C16 H12 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cnccc21
InChi:InChI=1S/C16H12ClN3O/c17-13-3-1-2-11(6-13)7-16(21)20-15-10-19-9-12-8-18-5-4-14(12)15/h1-6,8-10H,7H2,(H,20,21)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
QVJ
QVJ
Name:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C23 H22 Cl N3 O4
SMILES:CNC(=O)COCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H22ClN3O4/c1-25-21(28)13-30-14-23(8-9-31-20-7-6-16(24)10-18(20)23)22(29)27-19-12-26-11-15-4-2-3-5-17(15)19/h2-7,10-12H,8-9,13-14H2,1H3,(H,25,28)(H,27,29)/t23-/m0/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
VPB
VPB
Name:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
Formula:C22 H21 N3 O4
SMILES:O=C(CCOc1ccccc1Oc1cccn2cc(C#N)cc21)N1CCOCC1
InChi:InChI=1S/C22H21N3O4/c23-15-17-14-18-19(6-3-8-25(18)16-17)29-21-5-2-1-4-20(21)28-11-7-22(26)24-9-12-27-13-10-24/h1-6,8,14,16H,7,9-13H2
Definition date:2023-09-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-8-{2-[3-(morpholin-4-yl)-3-oxopropoxy]phenoxy}indolizine-2-carbonitrile
Y58
Y58
Name:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
Formula:C20 H27 N3 O9 S2
SMILES:OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n3cc(Sc4ccccc4)nn3)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C20H27N3O9S2/c24-7-10-14(26)13(23-6-12(21-22-23)33-9-4-2-1-3-5-9)16(28)19(31-10)34-20-18(30)17(29)15(27)11(8-25)32-20/h1-6,10-11,13-20,24-30H,7-8H2/t10-,11-,13+,14+,15-,16-,17+,18-,19+,20+/m1/s1
Definition date:2023-06-12
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
QHI
QHI
Name:(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula:C19 H14 Cl2 N2 O2
SMILES:Clc1cc(Cl)c2OCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14Cl2N2O2/c20-12-7-15-14(5-6-25-18(15)16(21)8-12)19(24)23-17-10-22-9-11-3-1-2-4-13(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
R9I
R9I
Name:methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl]-N-methylglycinate
Formula:C23 H23 Cl N4 O5 S
SMILES:O=C(OC)CN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C23H23ClN4O5S/c1-27(14-22(29)33-2)34(31,32)28-12-16-7-8-17(24)9-19(16)20(13-28)23(30)26-21-11-25-10-15-5-3-4-6-18(15)21/h3-11,20H,12-14H2,1-2H3,(H,26,30)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl]-N-methylglycinate
O0R
O0R
Name:2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide
Formula:C16 H15 Cl N2 O
SMILES:O=C(Nc1cnccc1C1CC1)Cc1cccc(Cl)c1
InChi:InChI=1S/C16H15ClN2O/c17-13-3-1-2-11(8-13)9-16(20)19-15-10-18-7-6-14(15)12-4-5-12/h1-3,6-8,10,12H,4-5,9H2,(H,19,20)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide
QVU
QVU
Name:(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
Formula:C18 H14 Cl2 N4 O
SMILES:Clc1cc2c(cc1Cl)NCCC2C(=O)Nc1cncc2cnccc21
InChi:InChI=1S/C18H14Cl2N4O/c19-14-5-13-12(2-4-23-16(13)6-15(14)20)18(25)24-17-9-22-8-10-7-21-3-1-11(10)17/h1,3,5-9,12,23H,2,4H2,(H,24,25)/t12-/m1/s1
Definition date:2023-08-21
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
L6D
L6D
Name:N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide
Formula:C15 H12 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nn1cnc2ccccc21
InChi:InChI=1S/C15H12ClN3O/c16-12-5-3-4-11(8-12)9-15(20)18-19-10-17-13-6-1-2-7-14(13)19/h1-8,10H,9H2,(H,18,20)
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide

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數據於2025-10-15公開中

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