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YUD
YUD
Name:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
Formula:C31 H42 N2 O8 S
SMILES:OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C)CC)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12
InChi:InChI=1S/C31H42N2O8S/c1-3-20(2)17-33(42(37,38)23-10-11-24-22(16-23)9-12-27(24)34)18-28(35)26(15-21-7-5-4-6-8-21)32-31(36)41-29-19-40-30-25(29)13-14-39-30/h4-8,10-11,16,20,25-30,34-35H,3,9,12-15,17-19H2,1-2H3,(H,32,36)/t20-,25-,26-,27-,28+,29-,30+/m0/s1
Definition date:2021-03-31
Last modified:2022-08-26
Release date:2022-08-31
Identifier:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl][(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
YUJ
YUJ
Name:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
Formula:C30 H40 N2 O8 S
SMILES:OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12
InChi:InChI=1S/C30H40N2O8S/c1-19(2)16-32(41(36,37)22-9-10-23-21(15-22)8-11-26(23)33)17-27(34)25(14-20-6-4-3-5-7-20)31-30(35)40-28-18-39-29-24(28)12-13-38-29/h3-7,9-10,15,19,24-29,33-34H,8,11-14,16-18H2,1-2H3,(H,31,35)/t24-,25-,26-,27+,28-,29+/m0/s1
Definition date:2021-03-31
Last modified:2022-08-26
Release date:2022-08-31
Identifier:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
7YT
7YT
Name:N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
Formula:C20 H21 N5 O2
SMILES:C[CH]1CC(=O)N(C)N=C1c2ccc(NC(=O)N3Cc4cccnc4C3)cc2
InChi:InChI=1S/C20H21N5O2/c1-13-10-18(26)24(2)23-19(13)14-5-7-16(8-6-14)22-20(27)25-11-15-4-3-9-21-17(15)12-25/h3-9,13H,10-12H2,1-2H3,(H,22,27)/t13-/m1/s1
Synonyms:N-[4-[(4R)-1,4-Dimethyl-6-oxo-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
Definition date:2021-09-15
Last modified:2022-08-22
Release date:2022-06-15
Identifier:~{N}-[4-[(4~{R})-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
86H
86H
Name:6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide
Formula:C23 H20 Cl2 N6 O3 S
SMILES:Clc1cccc(c1Cl)[S](=O)(=O)Nc2ccc(cc2)c3cc(C(=O)N[CH]4CCNC4)c5c[nH]nc5n3
InChi:InChI=1S/C23H20Cl2N6O3S/c24-18-2-1-3-20(21(18)25)35(33,34)31-14-6-4-13(5-7-14)19-10-16(17-12-27-30-22(17)29-19)23(32)28-15-8-9-26-11-15/h1-7,10,12,15,26,31H,8-9,11H2,(H,28,32)(H,27,29,30)/t15-/m1/s1
Definition date:2021-10-04
Last modified:2022-08-22
Release date:2021-12-01
Identifier:6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide
8IM
8IM
Name:2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide
Formula:C52 H68 B F2 N13 O8
SMILES:Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2CCCCCNC(=O)COCCOCCOCCOCCNC(=O)COc4ccc(cc4)N5CCN(CC5)CCn6ncc7c6nc(N)n8nc(nc78)c9occc9
InChi:InChI=1S/C52H68BF2N13O8/c1-36-31-38(3)66-47(36)42(48-37(2)32-39(4)67(48)53(66,54)55)9-6-5-7-15-57-45(69)34-74-30-29-73-28-27-72-26-25-71-24-16-58-46(70)35-76-41-13-11-40(12-14-41)64-20-17-63(18-21-64)19-22-65-50-43(33-59-65)51-60-49(44-10-8-23-75-44)62-68(51)52(56)61-50/h8,10-14,23,31-33H,5-7,9,15-22,24-30,34-35H2,1-4H3,(H2,56,61)(H,57,69)(H,58,70)
Definition date:2021-10-20
Last modified:2022-08-22
Release date:2022-03-02
Identifier:2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]pentyl]ethanamide
93L
93L
Name:(1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
Formula:C24 H28 N8 O2
SMILES:CN1CCC(CC1)Nc2cc(nn3c(C)nnc23)C(=O)N4[CH]5CNC(=O)[CH]4Cc6ccccc56
InChi:InChI=1S/C24H28N8O2/c1-14-27-28-22-18(26-16-7-9-30(2)10-8-16)12-19(29-32(14)22)24(34)31-20-11-15-5-3-4-6-17(15)21(31)13-25-23(20)33/h3-6,12,16,20-21,26H,7-11,13H2,1-2H3,(H,25,33)/t20-,21-/m0/s1
Definition date:2021-11-10
Last modified:2022-08-22
Release date:2022-01-19
Identifier:(1~{R},9~{S})-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
96L
96L
Name:(1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
Formula:C30 H39 F N8 O2
SMILES:CC(C)[CH]1NC(=O)[CH]2Cc3ccccc3[CH]1N2C(=O)c4cc(NC5CCN(CC5)CC(C)(C)F)c6nnc(C)n6n4
InChi:InChI=1S/C30H39FN8O2/c1-17(2)25-26-21-9-7-6-8-19(21)14-24(28(40)33-25)38(26)29(41)23-15-22(27-35-34-18(3)39(27)36-23)32-20-10-12-37(13-11-20)16-30(4,5)31/h6-9,15,17,20,24-26,32H,10-14,16H2,1-5H3,(H,33,40)/t24-,25+,26+/m0/s1
Definition date:2021-11-10
Last modified:2022-08-22
Release date:2022-01-19
Identifier:(1~{R},9~{S},12~{R})-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one
EQ0
EQ0
Name:[(2~{R},3~{S},4~{R},5~{R})-5-(5-azanyl-7-oxidanyl-imidazo[4,5-b]pyridin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:C11 H15 N4 O8 P
SMILES:Nc1cc(O)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1
InChi:InChI=1S/C11H15N4O8P/c12-6-1-4(16)7-10(14-6)15(3-13-7)11-9(18)8(17)5(23-11)2-22-24(19,20)21/h1,3,5,8-9,11,17-18H,2H2,(H3,12,14,16)(H2,19,20,21)/t5-,8-,9-,11-/m1/s1
Definition date:2022-01-12
Last modified:2022-08-22
Release date:2022-07-20
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-(5-azanyl-7-oxidanyl-imidazo[4,5-b]pyridin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
I8K
I8K
Name:[4-[1-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperidin-4-yl]oxyphenyl]-bis(oxidanyl)-$l^{4}-borane
Formula:C35 H55 B N O6
SMILES:C[CH](CCC(=O)N1CCC(CC1)Oc2ccc(cc2)[BH](O)O)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C
InChi:InChI=1S/C35H55BNO6/c1-22(4-11-32(40)37-18-14-27(15-19-37)43-26-7-5-24(6-8-26)36(41)42)28-9-10-29-33-30(13-17-35(28,29)3)34(2)16-12-25(38)20-23(34)21-31(33)39/h5-8,22-23,25,27-31,33,36,38-39,41-42H,4,9-21H2,1-3H3/t22-,23+,25-,28-,29+,30+,31+,33+,34+,35-/m1/s1
Definition date:2022-02-24
Last modified:2022-08-22
Release date:2022-05-04
Identifier:[4-[1-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]piperidin-4-yl]oxyphenyl]-bis(oxidanyl)-$l^{4}-borane
JIK
JIK
Name:1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid
Formula:C12 H13 N3 O2
SMILES:OC(=O)c1cnc2n(ncc2c1)C3CCCC3
InChi:InChI=1S/C12H13N3O2/c16-12(17)9-5-8-7-14-15(11(8)13-6-9)10-3-1-2-4-10/h5-7,10H,1-4H2,(H,16,17)
Definition date:2022-04-27
Last modified:2022-08-22
Release date:2022-07-13
Identifier:1-cyclopentylpyrazolo[3,4-b]pyridine-5-carboxylic acid
JJU
JJU
Name:2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
Formula:C18 H12 F3 N3 O2
SMILES:Cn1cc2c3cc(ccc3n(c4ccc(cc4)C(F)(F)F)c2n1)C(O)=O
InChi:InChI=1S/C18H12F3N3O2/c1-23-9-14-13-8-10(17(25)26)2-7-15(13)24(16(14)22-23)12-5-3-11(4-6-12)18(19,20)21/h2-9H,1H3,(H,25,26)
Definition date:2022-04-29
Last modified:2022-08-22
Release date:2022-07-13
Identifier:2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
JQI
JQI
Name:[(1R)-1-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid
Formula:C31 H55 B N8 O6
SMILES:CC(C)C[CH](NC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc1cccc(CCC(=O)C(C)NC(N)=N)c1)B(O)O
InChi:InChI=1S/C31H55BN8O6/c1-20(2)17-27(32(45)46)40-30(44)25(12-5-7-16-34)39-29(43)24(11-4-6-15-33)38-28(42)19-23-10-8-9-22(18-23)13-14-26(41)21(3)37-31(35)36/h8-10,18,20-21,24-25,27,45-46H,4-7,11-17,19,33-34H2,1-3H3,(H,38,42)(H,39,43)(H,40,44)(H4,35,36,37)/t21?,24-,25-,27-/m0/s1
Synonyms:(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL
Definition date:2022-05-06
Last modified:2022-08-22
Release date:2022-06-22
Identifier:[(1~{R})-1-[[(2~{S})-6-azanyl-2-[[(2~{S})-6-azanyl-2-[2-[3-(4-carbamimidamido-3-oxidanylidene-pentyl)phenyl]ethanoylamino]hexanoyl]amino]hexanoyl]amino]-3-methyl-butyl]boronic acid
OV0
OV0
Name:2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one
Formula:C24 H18 F2 N4 O2
SMILES:O=C(c1ccc(Nc2cc(nc3C=NC(=O)c32)c2c(F)cccc2F)cc1)N1CCCC1
InChi:InChI=1S/C24H18F2N4O2/c25-16-4-3-5-17(26)21(16)18-12-19(22-20(29-18)13-27-23(22)31)28-15-8-6-14(7-9-15)24(32)30-10-1-2-11-30/h3-9,12-13H,1-2,10-11H2,(H,28,29)
Definition date:2022-05-16
Last modified:2022-08-19
Release date:2022-08-24
Identifier:2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one
OV5
OV5
Name:6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide
Formula:C21 H15 Cl F N5 O2
SMILES:CCNC(=O)c1ccc(nc1)Nc1cc(nc2C=NC(=O)c12)c1c(F)cccc1Cl
InChi:InChI=1S/C21H15ClFN5O2/c1-2-24-20(29)11-6-7-17(25-9-11)28-15-8-14(18-12(22)4-3-5-13(18)23)27-16-10-26-21(30)19(15)16/h3-10H,2H2,1H3,(H,24,29)(H,25,27,28)
Definition date:2022-05-16
Last modified:2022-08-19
Release date:2022-08-24
Identifier:6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide
EIB
EIB
Name:[(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate
Formula:C24 H32 O9
SMILES:C[CH]1[CH]2[CH](CC(=CC[CH](OC(C)=O)C(=C[CH]2OC1=O)C)COC(C)=O)OC(=O)C(C)=CCO
InChi:InChI=1S/C24H32O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,15,19-22,25H,7,9,11-12H2,1-5H3/b13-8+,14-10+,18-6-/t15-,19-,20+,21+,22-/m0/s1
Synonyms:Bound form of Eupalinolide B
Definition date:2020-07-03
Last modified:2022-08-19
Release date:2022-08-24
Identifier:[(3~{S},3~{a}~{R},4~{R},6~{Z},9~{S},10~{E},11~{a}~{R})-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3~{a},4,5,8,9,11~{a}-hexahydro-3~{H}-cyclodeca[b]furan-4-yl] (~{E})-2-methyl-4-oxidanyl-but-2-enoate
PQF
PQF
Name:2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
Formula:C30 H32 F N5 O2
SMILES:CC(C)(O)c1cc2n(c3cc(cnc3c2cc1F)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1
InChi:InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1
Definition date:2022-05-29
Last modified:2022-08-12
Release date:2022-08-17
Identifier:2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol
R63
R63
Name:methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
Formula:C17 H18 N2 O4
SMILES:O=C(OC)c1ncc2[NH]c3cc(OC)c(OC)cc3c2c1CC
InChi:InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3
Definition date:2022-06-20
Last modified:2022-08-12
Release date:2022-08-17
Identifier:methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate
GJN
GJN
Name:4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
Formula:C16 H12 N4
SMILES:Nc1nnc2c3ccccc3[NH]c2c1c1ccccc1
InChi:InChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20)
Definition date:2022-01-03
Last modified:2022-08-12
Release date:2022-08-17
Identifier:4-phenyl-5H-pyridazino[4,3-b]indol-3-amine
5I9
5I9
Name:~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Formula:C28 H20 F2 N4 O4
SMILES:Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5Nc6ccccc6Oc45)c(F)c3)cc1
InChi:InChI=1S/C28H20F2N4O4/c29-16-5-7-17(8-6-16)32-26(35)28(12-13-28)27(36)33-18-9-10-21(19(30)15-18)37-23-11-14-31-25-24(23)38-22-4-2-1-3-20(22)34-25/h1-11,14-15H,12-13H2,(H,31,34)(H,32,35)(H,33,36)
Definition date:2021-08-18
Last modified:2022-08-12
Release date:2022-08-17
Identifier:~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
I61
I61
Name:Inulanolide A
Formula:C34 H44 O9
SMILES:CC(=O)OC1C2C(C)=C3CC4C(=C)C(=O)OC4CC(C)C31CC12C(=O)OC2CC(C)=C(C(O)C21)C(C)CCCOC(C)=O
InChi:InChI=1S/C34H44O9/c1-15(9-8-10-40-20(6)35)26-16(2)11-25-28(29(26)37)34(32(39)43-25)14-33-17(3)12-24-22(18(4)31(38)42-24)13-23(33)19(5)27(34)30(33)41-21(7)36/h15,17,22,24-25,27-30,37H,4,8-14H2,1-3,5-7H3/t15-,17-,22+,24-,25+,27-,28+,29+,30-,33-,34-/m1/s1
Definition date:2022-01-13
Last modified:2022-08-05
Release date:2022-08-10
Identifier:(4R)-4-[(3R,3aR,3'aS,4R,6'S,7aS,8'aR,9'R,10'aR,11'R)-11'-(acetyloxy)-4-hydroxy-5',6,9'-trimethyl-3'-methylidene-2,2'-dioxo-2',3',3a,3'a,4,4',6',7,7a,9',10',10'a-dodecahydro-2H,8'H-spiro[[1]benzofuran-3,7'-[6,8a]methanobenzo[4,5]cyclohepta[1,2-b]furan]-5-yl]pentyl acetate
QG5
QG5
Name:(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:C18 H15 N5 O2
SMILES:NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C
InChi:InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25)
Definition date:2022-06-09
Last modified:2022-07-22
Release date:2022-07-27
Identifier:(1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
QGI
QGI
Name:(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
Formula:C18 H20 N4 O2
SMILES:NC(=O)c1c2cc(C)c(C)nc2n(c1N)c1c(C)ccc(O)c1C
InChi:InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24)
Definition date:2022-06-09
Last modified:2022-07-22
Release date:2022-07-27
Identifier:(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
QGR
QGR
Name:(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:C19 H16 Br N5 O2
SMILES:NC(=O)c1c2nc3cc(Br)ccc3nc2n(c1N)c1c(C)ccc(O)c1C
InChi:InChI=1S/C19H16BrN5O2/c1-8-3-6-13(26)9(2)16(8)25-17(21)14(18(22)27)15-19(25)24-11-5-4-10(20)7-12(11)23-15/h3-7,26H,21H2,1-2H3,(H2,22,27)
Definition date:2022-06-09
Last modified:2022-07-22
Release date:2022-07-27
Identifier:(1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
QGY
QGY
Name:(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
Formula:C19 H16 Br N5 O2
SMILES:NC(=O)c1c2nc3c(Br)cccc3nc2n(c1N)c1c(C)ccc(O)c1C
InChi:InChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27)
Definition date:2022-06-09
Last modified:2022-07-22
Release date:2022-07-27
Identifier:(1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
4UI
4UI
Name:5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide
Formula:C22 H17 F N2 O2 S2
SMILES:ONC(=O)c1sc(Cn2c3C[CH](Sc3c4cc(F)ccc24)c5ccccc5)cc1
InChi:InChI=1S/C22H17FN2O2S2/c23-14-6-8-17-16(10-14)21-18(11-20(29-21)13-4-2-1-3-5-13)25(17)12-15-7-9-19(28-15)22(26)24-27/h1-10,20,27H,11-12H2,(H,24,26)/t20-/m1/s1
Definition date:2021-07-07
Last modified:2022-07-22
Release date:2022-07-27
Identifier:5-[[(2~{R})-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide

219869

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