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EYR
EYR
Name:(6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
Formula:C40 H68
SMILES:CC[CH](C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
InChi:InChI=1S/C40H68/c1-11-34(4)20-13-22-36(6)24-15-26-38(8)28-17-30-40(10)32-18-31-39(9)29-16-27-37(7)25-14-23-35(5)21-12-19-33(2)3/h19,22-23,26-27,30-31,34H,11-18,20-21,24-25,28-29,32H2,1-10H3/b35-23+,36-22+,37-27+,38-26+,39-31+,40-30+/t34-/m1/s1
Definition date:2020-02-26
Last modified:2020-10-30
Release date:2020-11-04
Identifier:(6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene
EZC
EZC
Name:2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid
Formula:C20 H24 Cl2 O4
SMILES:CCCC[C]1(Cc2cc(OCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
InChi:InChI=1S/C20H24Cl2O4/c1-2-3-8-20(13-6-4-5-7-13)10-12-9-14(26-11-15(23)24)17(21)18(22)16(12)19(20)25/h9,13H,2-8,10-11H2,1H3,(H,23,24)/t20-/m1/s1
Definition date:2020-02-27
Last modified:2020-10-30
Release date:2020-11-04
Identifier:2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid
FB9
FB9
Name:(3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
Formula:C34 H37 N3 O5
SMILES:COC[CH]1[CH]([CH]2CN(C[CH](O)[CH](O)CN12)C(=O)Nc3ccc(OC4CC4)cc3)c5ccc(cc5)C#Cc6ccccc6
InChi:InChI=1S/C34H37N3O5/c1-41-22-30-33(25-11-9-24(10-12-25)8-7-23-5-3-2-4-6-23)29-19-36(20-31(38)32(39)21-37(29)30)34(40)35-26-13-15-27(16-14-26)42-28-17-18-28/h2-6,9-16,28-33,38-39H,17-22H2,1H3,(H,35,40)/t29-,30+,31+,32-,33+/m0/s1
Definition date:2020-04-27
Last modified:2020-10-30
Release date:2020-11-04
Identifier:(3~{S},4~{R},8~{R},9~{R},10~{S})-~{N}-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
GYX
GYX
Name:N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
Formula:C27 H31 N3 O2
SMILES:C[CH](N1CCC(CC1)C(=O)NCc2cccc(NC(C)=O)c2)c3cccc4ccccc34
InChi:InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1
Definition date:2020-10-09
Last modified:2020-10-30
Release date:2020-11-04
Identifier:~{N}-[(3-acetamidophenyl)methyl]-1-[(1~{R})-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
Q3W
Q3W
Name:Carborane nido-butyl-sulfonamide
Formula:C6 H10 B9 N O2 S
SMILES:N[S](=O)(=O)CCCC[C+]123[B-]45[B-]67[B+]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
InChi:InChI=1S/C6H10B9NO2S/c16-19(17,18)4-2-1-3-6-5-7-9-8(6)12(6)10(5,6)11(5,7)13(7,9)14(8,9,12)15(10,11,12)13/h1-4H2,(H2,16,17,18)
Definition date:2020-05-07
Last modified:2020-10-28
Release date:2020-10-28
QSG
QSG
Name:(2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name)
Formula:C32 H48 N10 O20
SMILES:N(Cc5nnn(C4C3C(C(n2nnc(CNC(C(C(C(NC1C(C(C(C(CO)O1)O)O)O)=O)O)O)=O)c2)CO3)OC4)c5)C(C(C(C(NC6C(C(C(C(CO)O6)O)O)O)=O)O)O)=O
InChi:InChI=1S/C32H48N10O20/c43-5-13-15(45)17(47)23(53)31(61-13)35-29(57)21(51)19(49)27(55)33-1-9-3-41(39-37-9)11-7-59-26-12(8-60-25(11)26)42-4-10(38-40-42)2-34-28(56)20(50)22(52)30(58)36-32-24(54)18(48)16(46)14(6-44)62-32/h3-4,11-26,31-32,43-54H,1-2,5-8H2,(H,33,55)(H,34,56)(H,35,57)(H,36,58)/t11-,12-,13+,14+,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,31+,32+/m0/s1
Definition date:2019-12-16
Last modified:2020-10-23
Release date:2020-10-28
Identifier:(2R,3R)-N-[(1-{(3S,3aR,6S,6aR)-6-[4-({[(2R,3R)-2,3-dihydroxy-4-oxo-4-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]amino}butanoyl]amino}methyl)-1H-1,2,3-triazol-1-yl]hexahydrofuro[3,2-b]furan-3-yl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihydroxy-N'-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide (non-preferred name)
W4D
W4D
Name:3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
Formula:C18 H14 N4 O
SMILES:c1ccc(cc1)CN3C=Nc2ccc(cc2C3=O)c4cnnc4
InChi:InChI=1S/C18H14N4O/c23-18-16-8-14(15-9-20-21-10-15)6-7-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)
Definition date:2020-09-27
Last modified:2020-10-23
Release date:2020-10-28
Identifier:3-benzyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
W4G
W4G
Name:3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
Formula:C18 H14 N4 O
SMILES:C3(c2ccc(c1cnnc1)cc2N=CN3Cc4ccccc4)=O
InChi:InChI=1S/C18H14N4O/c23-18-16-7-6-14(15-9-20-21-10-15)8-17(16)19-12-22(18)11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,20,21)
Definition date:2020-09-28
Last modified:2020-10-23
Release date:2020-10-28
Identifier:3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
QTY
QTY
Name:N-[[1-[(3S,3aR,6S,6aR)-6-[4-[[[4-[[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]-4-oxidanylidene-butanoyl]amino]methyl]-1,2,3-triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1,2,3-triazol-4-yl]methyl]-N'-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]butanediamide
Formula:C32 H48 N10 O16
SMILES:C1(C(C(O)C(O)C(O1)CO)O)NC(=O)CCC(NCc2nnn(c2)C3COC6C3OCC6n4nnc(c4)CNC(=O)CCC(NC5OC(CO)C(C(C5O)O)O)=O)=O
InChi:InChI=1S/C32H48N10O16/c43-9-17-23(49)25(51)27(53)31(57-17)35-21(47)3-1-19(45)33-5-13-7-41(39-37-13)15-11-55-30-16(12-56-29(15)30)42-8-14(38-40-42)6-34-20(46)2-4-22(48)36-32-28(54)26(52)24(50)18(10-44)58-32/h7-8,15-18,23-32,43-44,49-54H,1-6,9-12H2,(H,33,45)(H,34,46)(H,35,47)(H,36,48)/t15-,16-,17+,18+,23-,24-,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
Definition date:2019-12-20
Last modified:2020-10-23
Release date:2020-10-28
Identifier:N~1~,N~1'~-[(3S,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diylbis(1H-1,2,3-triazole-1,4-diylmethanediyl)]bis{N~4~-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]butanediamide} (non-preferred name)
RMW
RMW
Name:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Formula:C39 H52 N8 O16 P3 S
SMILES:C[n+]1ccc(C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=O)n3cnc4c(N)ncnc34)c5cccc6ccccc56)cc1
InChi:InChI=1S/C39H51N8O16P3S/c1-39(2,21-60-66(57,58)63-65(55,56)59-20-28-33(62-64(52,53)54)32(49)38(61-28)47-23-45-31-35(40)43-22-44-36(31)47)34(50)37(51)42-14-11-30(48)41-15-18-67-29(19-24-12-16-46(3)17-13-24)27-10-6-8-25-7-4-5-9-26(25)27/h4-10,12-13,16-17,22-23,28-29,32-34,38,49-50H,11,14-15,18-21H2,1-3H3,(H7-,40,41,42,43,44,48,51,52,53,54,55,56,57,58)/p+1/t28-,29-,32-,33-,34+,38-/m1/s1
Definition date:2020-10-09
Last modified:2020-10-23
Release date:2020-10-28
Identifier:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-1-ium-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
QWG
QWG
Name:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
Formula:C22 H37 N3 O14 S2
SMILES:n1nn(cc1CSCC2C(C(C(C(O2)SC3C(C(C(C(CO)O3)O)O)O)O)O)O)CC4C(O)C(O)C(C(OC)O4)O
InChi:InChI=1S/C22H37N3O14S2/c1-36-20-17(33)14(30)11(27)8(37-20)3-25-2-7(23-24-25)5-40-6-10-13(29)16(32)19(35)22(39-10)41-21-18(34)15(31)12(28)9(4-26)38-21/h2,8-22,26-35H,3-6H2,1H3/t8-,9-,10-,11-,12+,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+/m1/s1
Definition date:2020-01-08
Last modified:2020-10-23
Release date:2020-10-28
Identifier:(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
QWJ
QWJ
Name:6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside
Formula:C15 H24 O9 S2
SMILES:C1(C(O)C(C(OC1CO)SC2C(C(C(C(CSCC#C)O2)O)O)O)O)O
InChi:InChI=1S/C15H24O9S2/c1-2-3-25-5-7-9(18)11(20)13(22)15(24-7)26-14-12(21)10(19)8(17)6(4-16)23-14/h1,6-22H,3-5H2/t6-,7-,8+,9-,10+,11+,12-,13-,14+,15+/m1/s1
Definition date:2020-01-08
Last modified:2020-10-23
Release date:2020-10-28
Identifier:6-S-(prop-2-yn-1-yl)-6-thio-beta-D-glucopyranosyl 1-thio-beta-D-galactopyranoside
S3W
S3W
Name:N-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-N'-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]butanediamide
Formula:C20 H33 N5 O12
SMILES:n2c(CNC(CCC(NC1C(C(C(O)C(CO)O1)O)O)=O)=O)cn(n2)CC3C(O)C(C(C(OC)O3)O)O
InChi:InChI=1S/C20H33N5O12/c1-35-20-18(34)16(32)13(29)9(37-20)6-25-5-8(23-24-25)4-21-11(27)2-3-12(28)22-19-17(33)15(31)14(30)10(7-26)36-19/h5,9-10,13-20,26,29-34H,2-4,6-7H2,1H3,(H,21,27)(H,22,28)/t9-,10+,13-,14+,15+,16+,17-,18-,19-,20+/m1/s1
Definition date:2019-12-18
Last modified:2020-10-23
Release date:2020-10-28
Identifier:N-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-N'-[(1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]butanediamide (non-preferred name)
N9Z
N9Z
Name:2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile
Formula:C17 H18 N8
SMILES:Cn1cc(Nc2nc(NC3(C)CC3)c4nc(CC#N)ccc4n2)cn1
InChi:InChI=1S/C17H18N8/c1-17(6-7-17)24-15-14-13(4-3-11(20-14)5-8-18)22-16(23-15)21-12-9-19-25(2)10-12/h3-4,9-10H,5-7H2,1-2H3,(H2,21,22,23,24)
Definition date:2019-11-21
Last modified:2020-10-23
Release date:2020-10-28
Identifier:2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile
WA3
WA3
Name:(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol
Formula:C42 H68 N6 O27 S4
SMILES:C1(C(C(O)C(O)C(O1)CO)O)SC2OC(C(C(C2O)O)O)CSCc8nnn(CC3OC(C(C(C3O)O)O)OC4OC(C(C(C4O)O)O)Cn5cc(nn5)CSCC7C(C(O)C(O)C(SC6C(C(O)C(O)C(CO)O6)O)O7)O)c8
InChi:InChI=1S/C42H68N6O27S4/c49-5-15-21(53)27(59)33(65)39(71-15)78-41-35(67)29(61)23(55)17(73-41)9-76-7-11-1-47(45-43-11)3-13-19(51)25(57)31(63)37(69-13)75-38-32(64)26(58)20(52)14(70-38)4-48-2-12(44-46-48)8-77-10-18-24(56)30(62)36(68)42(74-18)79-40-34(66)28(60)22(54)16(6-50)72-40/h1-2,13-42,49-68H,3-10H2/t13-,14-,15-,16+,17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+/m1/s1
Definition date:2020-01-09
Last modified:2020-10-23
Release date:2020-10-28
Identifier:(2S,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-({[(1-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({4-[({[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-2-yl]methyl}sulfanyl)methyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]sulfanyl}methyl)tetrahydro-2H-pyran-2-yl]sulfanyl}tetrahydro-2H-pyran-3,4,5-triol (non-preferred name)
RRB
RRB
Name:[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
Formula:C22 H27 N5 O9 S
SMILES:N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4cc(CO)cc(N)c34
InChi:InChI=1S/C22H27N5O9S/c23-14-6-12(8-28)7-16-18(14)27(10-25-16)22-20(31)19(30)17(36-22)9-35-37(33,34)26-21(32)15(24)5-11-1-3-13(29)4-2-11/h1-4,6-7,10,15,17,19-20,22,28-31H,5,8-9,23-24H2,(H,26,32)/t15-,17+,19+,20+,22+/m0/s1
Definition date:2020-10-20
Last modified:2020-10-23
Release date:2020-10-28
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
RRW
RRW
Name:[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
Formula:C19 H29 N5 O8 S
SMILES:CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23
InChi:InChI=1S/C19H29N5O8S/c1-9(2)3-12(21)18(28)23-33(29,30)31-7-14-16(26)17(27)19(32-14)24-8-22-13-5-10(6-25)4-11(20)15(13)24/h4-5,8-9,12,14,16-17,19,25-27H,3,6-7,20-21H2,1-2H3,(H,23,28)/t12-,14+,16+,17+,19+/m0/s1
Definition date:2020-10-20
Last modified:2020-10-23
Release date:2020-10-28
Identifier:[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
NB5
NB5
Name:7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
Formula:C26 H28 F N9 O
SMILES:CN1CC2(CC(C2)n3cc(Nc4nc(OC5(C)CC5)c6nc(c(F)cc6n4)c7cnc(C)nc7)cn3)C1
InChi:InChI=1S/C26H28FN9O/c1-15-28-9-16(10-29-15)21-19(27)6-20-22(33-21)23(37-25(2)4-5-25)34-24(32-20)31-17-11-30-36(12-17)18-7-26(8-18)13-35(3)14-26/h6,9-12,18H,4-5,7-8,13-14H2,1-3H3,(H,31,32,34)
Definition date:2019-11-21
Last modified:2020-10-23
Release date:2020-10-28
Identifier:7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
NBK
NBK
Name:7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
Formula:C25 H28 F N9 O
SMILES:CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(c(F)cc5n3)c6cnc(C)nc6)cn2
InChi:InChI=1S/C25H28FN9O/c1-15-27-11-16(12-28-15)21-19(26)10-20-22(32-21)23(36-25(2)6-7-25)33-24(31-20)30-17-13-29-35(14-17)18-4-8-34(3)9-5-18/h10-14,18H,4-9H2,1-3H3,(H,30,31,33)
Definition date:2019-11-21
Last modified:2020-10-23
Release date:2020-10-28
Identifier:7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
NBW
NBW
Name:~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
Formula:C23 H30 N8 O2
SMILES:CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)C(=O)N(C)C)cn2
InChi:InChI=1S/C23H30N8O2/c1-23(9-10-23)33-20-19-17(5-6-18(26-19)21(32)29(2)3)27-22(28-20)25-15-13-24-31(14-15)16-7-11-30(4)12-8-16/h5-6,13-14,16H,7-12H2,1-4H3,(H,25,27,28)
Definition date:2019-11-22
Last modified:2020-10-23
Release date:2020-10-28
Identifier:~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
ND2
ND2
Name:4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
Formula:C24 H29 N9 O
SMILES:CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc5n3)c6cnn(C)c6)cn2
InChi:InChI=1S/C24H29N9O/c1-24(8-9-24)34-22-21-20(5-4-19(28-21)16-12-25-32(3)14-16)29-23(30-22)27-17-13-26-33(15-17)18-6-10-31(2)11-7-18/h4-5,12-15,18H,6-11H2,1-3H3,(H,27,29,30)
Definition date:2019-11-22
Last modified:2020-10-23
Release date:2020-10-28
Identifier:4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
RWV
RWV
Name:1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
Formula:C11 H19 N3 S
SMILES:N1(CCC(CC1)CN)Cc2csc(n2)C
InChi:InChI=1S/C11H19N3S/c1-9-13-11(8-15-9)7-14-4-2-10(6-12)3-5-14/h8,10H,2-7,12H2,1H3
Definition date:2020-02-28
Last modified:2020-10-23
Release date:2020-10-28
Identifier:1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
RXG
RXG
Name:2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one
Formula:C12 H10 F N O2
SMILES:C(Oc1ccc(cc1)F)C(=O)n2cccc2
InChi:InChI=1S/C12H10FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h1-8H,9H2
Definition date:2020-02-28
Last modified:2020-10-23
Release date:2020-10-28
Identifier:2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one
RXJ
RXJ
Name:4-(4-methylpiperazin-1-yl)benzonitrile
Formula:C12 H15 N3
SMILES:N2(c1ccc(cc1)C#N)CCN(CC2)C
InChi:InChI=1S/C12H15N3/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12/h2-5H,6-9H2,1H3
Definition date:2020-02-28
Last modified:2020-10-23
Release date:2020-10-28
Identifier:4-(4-methylpiperazin-1-yl)benzonitrile
RXS
RXS
Name:3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile
Formula:C12 H11 N3
SMILES:n2(Cc1cc(ccc1)C#N)c(ncc2)C
InChi:InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3
Definition date:2020-02-28
Last modified:2020-10-23
Release date:2020-10-28
Identifier:3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile

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