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M0R
M0R
Name:19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Formula:C21 H22 Cl N3 O5
SMILES:Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1
InChi:InChI=1S/C21H22ClN3O5/c1-26-19-12-16-15-11-20(19)30-9-7-28-5-4-27-6-8-29-18-3-2-14(22)10-17(18)25-21(15)24-13-23-16/h2-3,10-13H,4-9H2,1H3,(H,23,24,25)
Definition date:2022-03-11
Last modified:2022-11-18
Release date:2022-11-23
Identifier:19-chloro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
M19
M19
Name:4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol
Formula:C15 H11 Cl F N3 O3
SMILES:Clc1cc(Nc2ncnc3cc(OC)c(O)cc32)c(O)cc1F
InChi:InChI=1S/C15H11ClFN3O3/c1-23-14-5-10-7(2-13(14)22)15(19-6-18-10)20-11-3-8(16)9(17)4-12(11)21/h2-6,21-22H,1H3,(H,18,19,20)
Definition date:2022-03-11
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol
M1O
M1O
Name:19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
Formula:C21 H21 Cl F N3 O5
SMILES:Clc1cc2Nc3ncnc4cc(OC)c(cc43)OCCOCCOCCOc2cc1F
InChi:InChI=1S/C21H21ClFN3O5/c1-27-19-11-16-13-8-20(19)31-7-5-29-3-2-28-4-6-30-18-10-15(23)14(22)9-17(18)26-21(13)25-12-24-16/h8-12H,2-7H2,1H3,(H,24,25,26)
Definition date:2022-03-11
Last modified:2022-11-18
Release date:2022-11-23
Identifier:19-chloro-18-fluoro-22-methoxy-8,9,11,12,14,15-hexahydro-21H-4,6-ethenopyrimido[5,4-m][1,4,7,10,15]benzotetraoxazacycloheptadecine
9ZL
9ZL
Name:~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Formula:C19 H17 Cl F3 N3 O S
SMILES:CC(C)Oc1ccc(cc1Cl)c2sc(CNc3ccnc(c3)C(F)(F)F)cn2
InChi:InChI=1S/C19H17ClF3N3OS/c1-11(2)27-16-4-3-12(7-15(16)20)18-26-10-14(28-18)9-25-13-5-6-24-17(8-13)19(21,22)23/h3-8,10-11H,9H2,1-2H3,(H,24,25)
Definition date:2021-11-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
A0F
A0F
Name:N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Formula:C22 H16 F3 N3 O S
SMILES:FC(F)(F)c1cc(NCc2sc(nc2)c3ccc(Oc4ccccc4)cc3)ccn1
InChi:InChI=1S/C22H16F3N3OS/c23-22(24,25)20-12-16(10-11-26-20)27-13-19-14-28-21(30-19)15-6-8-18(9-7-15)29-17-4-2-1-3-5-17/h1-12,14H,13H2,(H,26,27)
Synonyms:N-((2-(4-phenoxyphenyl)thiazol-5-yl)methyl)-2-(trifluoromethyl)pyridin-4-amine
Definition date:2021-11-23
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
9PJ
9PJ
Name:5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile
Formula:C22 H15 F7 N4 O3
SMILES:FC(F)C(F)(F)C=1N=CN(CC2C=C(F)C(=O)N=C2C)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F
InChi:InChI=1S/C22H15F7N4O3/c1-9-12(6-30)3-11(18(24)25)5-15(9)36-16-17(22(28,29)21(26)27)31-8-33(20(16)35)7-13-4-14(23)19(34)32-10(13)2/h3-5,8,13,18,21H,7H2,1-2H3/t13-/m0/s1
Definition date:2021-10-25
Last modified:2022-11-18
Release date:2022-11-23
Identifier:5-(difluoromethyl)-3-{[1-{[(3S)-5-fluoro-2-methyl-6-oxo-3,6-dihydropyridin-3-yl]methyl}-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl]oxy}-2-methylbenzonitrile
9PS
9PS
Name:4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol
Formula:C18 H14 O2
SMILES:Oc1ccc(C=Cc2ccc3ccccc3c2)cc1O
InChi:InChI=1S/C18H14O2/c19-17-10-8-14(12-18(17)20)6-5-13-7-9-15-3-1-2-4-16(15)11-13/h1-12,19-20H/b6-5+
Definition date:2021-11-19
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-[(~{E})-2-naphthalen-2-ylethenyl]benzene-1,2-diol
9QI
9QI
Name:5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile
Formula:C21 H13 F7 N4 O3
SMILES:FC(F)C(F)(F)C=1N=CN(CC2=CC(F)=CNC2=O)C(=O)C=1Oc1cc(cc(C#N)c1C)C(F)F
InChi:InChI=1S/C21H13F7N4O3/c1-9-11(5-29)2-10(17(23)24)4-14(9)35-15-16(21(27,28)20(25)26)31-8-32(19(15)34)7-12-3-13(22)6-30-18(12)33/h2-4,6,8,17,20H,7H2,1H3,(H,30,33)
Definition date:2021-10-25
Last modified:2022-11-18
Release date:2022-11-23
Identifier:5-(difluoromethyl)-3-({1-[(5-fluoro-2-oxo-1,2-dihydropyridin-3-yl)methyl]-6-oxo-4-(1,1,2,2-tetrafluoroethyl)-1,6-dihydropyrimidin-5-yl}oxy)-2-methylbenzonitrile
9RJ
9RJ
Name:4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
Formula:C18 H14 O2
SMILES:Oc1ccc(C=Cc2cccc3ccccc23)cc1O
InChi:InChI=1S/C18H14O2/c19-17-11-9-13(12-18(17)20)8-10-15-6-3-5-14-4-1-2-7-16(14)15/h1-12,19-20H/b10-8+
Definition date:2021-11-19
Last modified:2022-11-18
Release date:2022-11-23
Identifier:4-[(~{E})-2-naphthalen-1-ylethenyl]benzene-1,2-diol
CI5
CI5
Name:(5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
Formula:C24 H24 N4 O3
SMILES:CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(cc2)C(N)=N)c3cccc4ccccc34
InChi:InChI=1S/C24H24N4O3/c1-2-20(19-9-5-7-15-6-3-4-8-18(15)19)27-23(29)21-14-28(24(30)31-21)17-12-10-16(11-13-17)22(25)26/h3-13,20-21H,2,14H2,1H3,(H3,25,26)(H,27,29)/t20-,21+/m0/s1
Definition date:2021-12-14
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
7RF
7RF
Name:(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate
Formula:C19 H17 N5 O2
SMILES:NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N
InChi:InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
Definition date:2021-10-14
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate
C9I
C9I
Name:(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
Formula:C23 H23 N5 O3
SMILES:CC[CH](NC(=O)[CH]1CN(C(=O)O1)c2ccc(nc2)C(N)=N)c3cccc4ccccc34
InChi:InChI=1S/C23H23N5O3/c1-2-18(17-9-5-7-14-6-3-4-8-16(14)17)27-22(29)20-13-28(23(30)31-20)15-10-11-19(21(24)25)26-12-15/h3-12,18,20H,2,13H2,1H3,(H3,24,25)(H,27,29)/t18-,20+/m0/s1
Definition date:2021-12-14
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(5~{R})-3-(6-carbamimidoylpyridin-3-yl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide
90I
90I
Name:benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate
Formula:C29 H36 N4 O6
SMILES:O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)C(=O)NCCc4ccccc4
InChi:InChI=1S/C29H36N4O6/c34-25(28(37)31-15-13-20-8-3-1-4-9-20)23(18-22-14-16-30-26(22)35)32-27(36)24-12-7-17-33(24)29(38)39-19-21-10-5-2-6-11-21/h1-6,8-11,22-25,34H,7,12-19H2,(H,30,35)(H,31,37)(H,32,36)/t22-,23-,24-,25+/m0/s1
Synonyms:(phenylmethyl) (2S)-2-[[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Definition date:2021-11-10
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(phenylmethyl) (2~{S})-2-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
90X
90X
Name:(S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide
Formula:C29 H34 Cl2 N4 O6
SMILES:O[CH]([CH](C[CH]1CCNC1=O)NC(=O)[CH]2CCCN2C(=O)COc3ccc(Cl)cc3Cl)C(=O)NCCc4ccccc4
InChi:InChI=1S/C29H34Cl2N4O6/c30-20-8-9-24(21(31)16-20)41-17-25(36)35-14-4-7-23(35)28(39)34-22(15-19-11-13-32-27(19)38)26(37)29(40)33-12-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,16,19,22-23,26,37H,4,7,10-15,17H2,(H,32,38)(H,33,40)(H,34,39)/t19-,22-,23-,26+/m0/s1
Synonyms:(2S)-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-N-[(2S)-3,4-bis(oxidanylidene)-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide
Definition date:2021-11-10
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-1-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-(2-phenylethylamino)butan-2-yl]pyrrolidine-2-carboxamide
E3J
E3J
Name:~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide
Formula:C13 H18 N2 O2 S
SMILES:Sc1ccccc1C(=O)NCCN2CCOCC2
InChi:InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16)
Definition date:2021-12-23
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide
8IY
8IY
Name:(2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-((4-((S)-2-hydroxy-1-methoxyethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide
Formula:C32 H37 F N4 O5
SMILES:CO[CH](CO)c1ccc(cc1)C#Cc2ccc(cc2)C(=O)NC[CH]3C[CH](CN3C(=O)C4CC4)NC(=O)[CH]5C[CH](F)CN5
InChi:InChI=1S/C32H37FN4O5/c1-42-29(19-38)22-8-4-20(5-9-22)2-3-21-6-10-23(11-7-21)30(39)35-17-27-15-26(18-37(27)32(41)24-12-13-24)36-31(40)28-14-25(33)16-34-28/h4-11,24-29,34,38H,12-19H2,1H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29+/m0/s1
Definition date:2021-10-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S},4~{S})-~{N}-[(3~{R},5~{R})-1-cyclopropylcarbonyl-5-[[[4-[2-[4-[(1~{S})-1-methoxy-2-oxidanyl-ethyl]phenyl]ethynyl]phenyl]carbonylamino]methyl]pyrrolidin-3-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
HNU
HNU
Name:(2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide
Formula:C10 H17 N3 O3
SMILES:CC(=O)N[CH](CCC(N)=O)C(=O)NCC=C
InChi:InChI=1S/C10H17N3O3/c1-3-6-12-10(16)8(13-7(2)14)4-5-9(11)15/h3,8H,1,4-6H2,2H3,(H2,11,15)(H,12,16)(H,13,14)/t8-/m0/s1
Definition date:2022-02-07
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide
HQX
HQX
Name:(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide
Formula:C11 H17 Br N2 O2
SMILES:CC[CH](C)[CH](NC(C)=O)C(=O)NCC#CBr
InChi:InChI=1S/C11H17BrN2O2/c1-4-8(2)10(14-9(3)15)11(16)13-7-5-6-12/h8,10H,4,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,10-/m0/s1
Definition date:2022-02-07
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide
ET7
ET7
Name:~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide
Formula:C23 H19 F N2 O2 S
SMILES:CCN1C(=O)c2ccccc2Sc3cc(NC(=O)Cc4ccc(F)cc4)ccc13
InChi:InChI=1S/C23H19FN2O2S/c1-2-26-19-12-11-17(25-22(27)13-15-7-9-16(24)10-8-15)14-21(19)29-20-6-4-3-5-18(20)23(26)28/h3-12,14H,2,13H2,1H3,(H,25,27)
Definition date:2022-01-12
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide
I90
I90
Name:2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one
Formula:C25 H20 N6 O3
SMILES:Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2
InChi:InChI=1S/C25H20N6O3/c1-29-16-21(15-27-29)20-12-19-11-17(5-6-23(19)26-14-20)9-10-30-25(32)8-7-24(28-30)18-3-2-4-22(13-18)31(33)34/h2-8,11-16H,9-10H2,1H3
Definition date:2022-06-17
Last modified:2022-11-18
Release date:2022-11-23
Identifier:2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one
I94
I94
Name:~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
Formula:C28 H23 F3 N6 O2
SMILES:CNC(=O)c1ccc(cc1C(F)(F)F)C2=NN(CCc3ccc4ncc(cc4c3)c5cnn(C)c5)C(=O)C=C2
InChi:InChI=1S/C28H23F3N6O2/c1-32-27(39)22-5-4-18(13-23(22)28(29,30)31)25-7-8-26(38)37(35-25)10-9-17-3-6-24-19(11-17)12-20(14-33-24)21-15-34-36(2)16-21/h3-8,11-16H,9-10H2,1-2H3,(H,32,39)
Definition date:2022-06-17
Last modified:2022-11-18
Release date:2022-11-23
Identifier:~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide
IIV
IIV
Name:(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
Formula:C9 H12 Br N3 O3
SMILES:CC(=O)N[CH](CC(N)=O)C(=O)NCC#CBr
InChi:InChI=1S/C9H12BrN3O3/c1-6(14)13-7(5-8(11)15)9(16)12-4-2-3-10/h7H,4-5H2,1H3,(H2,11,15)(H,12,16)(H,13,14)/t7-/m0/s1
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide
IJ3
IJ3
Name:(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide
Formula:C10 H19 Br N2 O2
SMILES:CC(C)[CH](NC(C)=O)C(=O)NCCCBr
InChi:InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide
IJI
IJI
Name:(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide
Formula:C11 H19 N5 O2
SMILES:CC(=O)N[CH](CCCNC(N)=N)C(=O)N=CC=C
InChi:InChI=1S/C11H19N5O2/c1-3-6-14-10(18)9(16-8(2)17)5-4-7-15-11(12)13/h3,6,9H,1,4-5,7H2,2H3,(H,16,17)(H4,12,13,15)/b14-6-/t9-/m0/s1
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enylidene-pentanamide
IK3
IK3
Name:(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide
Formula:C14 H18 N2 O3
SMILES:CC(=O)N[CH](Cc1ccc(O)cc1)C(=O)NCC=C
InChi:InChI=1S/C14H18N2O3/c1-3-8-15-14(19)13(16-10(2)17)9-11-4-6-12(18)7-5-11/h3-7,13,18H,1,8-9H2,2H3,(H,15,19)(H,16,17)/t13-/m0/s1
Definition date:2022-03-22
Last modified:2022-11-18
Release date:2022-11-23
Identifier:(2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide

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数据于2024-08-07公开中

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