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KB6
KB6
Name:3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline
Formula:C21 H17 F N2 O2
SMILES:Fc1ccc(cc1)c1nc(CCOc2cc3ccccc3cn2)c(C)o1
InChi:InChI=1S/C21H17FN2O2/c1-14-19(24-21(26-14)15-6-8-18(22)9-7-15)10-11-25-20-12-16-4-2-3-5-17(16)13-23-20/h2-9,12-13H,10-11H2,1H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline
KBL
KBL
Name:6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
Formula:C21 H15 F3 N4 O2
SMILES:FC(F)(F)Oc1cc(ccc1)N1N=C(C(=O)C=C1C)c1ccnn1c1ccccc1
InChi:InChI=1S/C21H15F3N4O2/c1-14-12-19(29)20(18-10-11-25-28(18)15-6-3-2-4-7-15)26-27(14)16-8-5-9-17(13-16)30-21(22,23)24/h2-13H,1H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
KC0
KC0
Name:2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile
Formula:C10 H7 Br N2
SMILES:Brc1ccc2[nH]cc(CC#N)c2c1
InChi:InChI=1S/C10H7BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2
Definition date:2022-05-23
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile
KC9
KC9
Name:4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
Formula:C22 H19 N5 O3
SMILES:O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cccc(c1)c1nc2ccccc2o1
InChi:InChI=1S/C22H19N5O3/c1-26-19(16(13-23-26)22(29)27-10-5-11-27)20(28)24-15-7-4-6-14(12-15)21-25-17-8-2-3-9-18(17)30-21/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,28)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide
KCF
KCF
Name:4-bromanyl-~{N},~{N}-dimethyl-1$l^{4},7,9-triazabicyclo[4.3.0]nona-1,3,5-trien-8-amine
Formula:C8 H9 Br N4
SMILES:CN(C)c1nc2cc(Br)ccn2n1
InChi:InChI=1S/C8H9BrN4/c1-12(2)8-10-7-5-6(9)3-4-13(7)11-8/h3-5H,1-2H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-7-bromo-N,N-dimethyl[1,2,4]triazolo[1,5-a]pyridin-2-amine
KCU
KCU
Name:4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide
Formula:C20 H18 Cl N5 O
SMILES:Clc1cnn(CCC)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1
InChi:InChI=1S/C20H18ClN5O/c1-2-10-26-18(15(21)12-22-26)20(27)23-14-8-9-16-17(11-14)25-19(24-16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,27)(H,24,25)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide
YWD
YWD
Name:3-[(prop-2-yn-1-yl)oxy]propanoic acid
Formula:C6 H8 O3
SMILES:O=C(O)CCOCC#C
InChi:InChI=1S/C6H8O3/c1-2-4-9-5-3-6(7)8/h1H,3-5H2,(H,7,8)
Definition date:2021-04-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[(prop-2-yn-1-yl)oxy]propanoic acid
KD4
KD4
Name:2-chloro-5-methoxy-3-methylquinoxaline
Formula:C10 H9 Cl N2 O
SMILES:COc1cccc2nc(Cl)c(C)nc12
InChi:InChI=1S/C10H9ClN2O/c1-6-10(11)13-7-4-3-5-8(14-2)9(7)12-6/h3-5H,1-2H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-chloro-5-methoxy-3-methylquinoxaline
KD6
KD6
Name:5-bromanyl-6-chloranyl-1~{H}-indole
Formula:C8 H5 Br Cl N
SMILES:Clc1cc2[nH]ccc2cc1Br
InChi:InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
Definition date:2022-05-24
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-bromanyl-6-chloranyl-1~{H}-indole
YWG
YWG
Name:N-[(4S)-4-amino-5-oxohexyl]urea
Formula:C7 H15 N3 O2
SMILES:NC(=O)NCCCC(N)C(C)=O
InChi:InChI=1S/C7H15N3O2/c1-5(11)6(8)3-2-4-10-7(9)12/h6H,2-4,8H2,1H3,(H3,9,10,12)/t6-/m0/s1
Definition date:2021-04-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(4S)-4-amino-5-oxohexyl]urea
KDC
KDC
Name:7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole
Formula:C17 H16 N4 O S2
SMILES:CCOc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1
InChi:InChI=1S/C17H16N4OS2/c1-3-22-14-6-11(18-7-10(14)2)8-23-17-20-12-4-5-13-16(15(12)21-17)24-9-19-13/h4-7,9H,3,8H2,1-2H3,(H,20,21)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole
KE0
KE0
Name:3-[3,5-bis(chloranyl)phenyl]propan-1-amine
Formula:C9 H11 Cl2 N
SMILES:NCCCc1cc(Cl)cc(Cl)c1
InChi:InChI=1S/C9H11Cl2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6H,1-3,12H2
Definition date:2022-05-24
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[3,5-bis(chloranyl)phenyl]propan-1-amine
KE6
KE6
Name:6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C17 H19 N7 O
SMILES:CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc2cncnc2)n1
InChi:InChI=1S/C17H19N7O/c1-11(2)24-7-6-15(23-24)22-17(25)16-14(5-4-12(3)20-16)21-13-8-18-10-19-9-13/h4-11,21H,1-3H3,(H,22,23,25)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
KER
KER
Name:3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
Formula:C20 H11 F5 N4 O2
SMILES:FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1F
InChi:InChI=1S/C20H11F5N4O2/c21-12-4-5-15(22)17(10-12)29-16(6-8-26-29)19-18(30)7-9-28(27-19)13-2-1-3-14(11-13)31-20(23,24)25/h1-11H
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
KEX
KEX
Name:5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole
Formula:C10 H7 Br Cl N5
SMILES:Clc1cc2[nH]cc(Cc3[nH]nnn3)c2cc1Br
InChi:InChI=1S/C10H7BrClN5/c11-7-2-6-5(1-10-14-16-17-15-10)4-13-9(6)3-8(7)12/h2-4,13H,1H2,(H,14,15,16,17)
Definition date:2022-05-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-bromanyl-6-chloranyl-3-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1~{H}-indole
KF3
KF3
Name:2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
Formula:C20 H19 F3 N6 O2
SMILES:CC(C)(C)c1nc(C(=O)Nc2cccc(OC(F)(F)F)c2)c(cn1)Nc1cncnc1
InChi:InChI=1S/C20H19F3N6O2/c1-19(2,3)18-26-10-15(27-13-8-24-11-25-9-13)16(29-18)17(30)28-12-5-4-6-14(7-12)31-20(21,22)23/h4-11,27H,1-3H3,(H,28,30)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-tert-butyl-5-[(pyrimidin-5-yl)amino]-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide
KF6
KF6
Name:5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole
Formula:C13 H10 Br Cl N2
SMILES:Clc1cc2[nH]cc(Cc3[nH]ccc3)c2cc1Br
InChi:InChI=1S/C13H10BrClN2/c14-11-5-10-8(4-9-2-1-3-16-9)7-17-13(10)6-12(11)15/h1-3,5-7,16-17H,4H2
Definition date:2022-05-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-bromanyl-6-chloranyl-3-(1~{H}-pyrrol-2-ylmethyl)-1~{H}-indole
KF9
KF9
Name:3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile
Formula:C21 H11 F2 N5 O3
SMILES:N#Cc1cc(ccc1)n1nccc1C1=NN(C=CC1=O)c1cccc2OC(F)(F)Oc12
InChi:InChI=1S/C21H11F2N5O3/c22-21(23)30-18-6-2-5-16(20(18)31-21)27-10-8-17(29)19(26-27)15-7-9-25-28(15)14-4-1-3-13(11-14)12-24/h1-11H
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-{5-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-4-oxo-1,4-dihydropyridazin-3-yl]-1H-pyrazol-1-yl}benzonitrile
KFI
KFI
Name:2-chloro-6-(cyclopropylamino)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
Formula:C21 H17 Cl N6 O
SMILES:Clc1nc(NC2CC2)cc(c1)C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChi:InChI=1S/C21H17ClN6O/c22-17-10-14(11-18(25-17)23-15-6-7-15)21(29)24-16-8-9-28-19(12-16)26-20(27-28)13-4-2-1-3-5-13/h1-5,8-12,15H,6-7H2,(H,23,25)(H,24,29)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-chloro-6-(cyclopropylamino)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]pyridine-4-carboxamide
KFO
KFO
Name:3-[1-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
Formula:C20 H12 F4 N4 O2
SMILES:FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1
InChi:InChI=1S/C20H12F4N4O2/c21-13-3-1-5-15(11-13)28-17(7-9-25-28)19-18(29)8-10-27(26-19)14-4-2-6-16(12-14)30-20(22,23)24/h1-12H
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
KFX
KFX
Name:N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
Formula:C17 H18 N8
SMILES:Cn1nc(nc1NCc1nc2c(C)ncc(C)n2n1)c1ccccc1
InChi:InChI=1S/C17H18N8/c1-11-9-18-12(2)16-20-14(22-25(11)16)10-19-17-21-15(23-24(17)3)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,19,21,23)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-{[(4R)-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazin-2-yl]methyl}-1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
ZNS
ZNS
Name:4-oxo-4-(phosphonooxy)butanoic acid
Formula:C4 H7 O7 P
SMILES:O=P(O)(O)OC(=O)CCC(=O)O
InChi:InChI=1S/C4H7O7P/c5-3(6)1-2-4(7)11-12(8,9)10/h1-2H2,(H,5,6)(H2,8,9,10)
Definition date:2021-05-12
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-oxo-4-(phosphonooxy)butanoic acid
KGO
KGO
Name:N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
Formula:C19 H21 N9 O3
SMILES:CNC(=O)c1n(C)ncc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CCOC1
InChi:InChI=1S/C19H21N9O3/c1-20-19(30)16-14(8-24-28(16)2)27-18(29)15-17(25-12-5-21-10-22-6-12)23-7-13(26-15)11-3-4-31-9-11/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,30)(H,23,25)(H,27,29)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[1-methyl-5-(methylcarbamoyl)-1H-pyrazol-4-yl]-6-[(3S)-oxolan-3-yl]-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
KH6
KH6
Name:N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide
Formula:C24 H21 N7 O3
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1
InChi:InChI=1S/C24H21N7O3/c1-29-22(18(13-26-29)24(33)30-7-9-34-10-8-30)23(32)28-19-11-21-27-20(16-5-3-2-4-6-16)15-31(21)14-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,28,32)
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide
KWF
KWF
Name:2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
Formula:C37 H35 N9 O13 P2
SMILES:NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(cc7)c8ccc9ccccc9c8)c%10c(N)ncnc6%10)c2N1
InChi:InChI=1S/C37H35N9O13P2/c38-31-25-22(19-8-5-18(6-9-19)21-10-7-17-3-1-2-4-20(17)11-21)12-45(32(25)41-15-40-31)35-28(48)29-24(57-35)14-55-61(52,53)59-30-27(47)23(13-54-60(50,51)58-29)56-36(30)46-16-42-26-33(46)43-37(39)44-34(26)49/h1-12,15-16,23-24,27-30,35-36,47-48H,13-14H2,(H,50,51)(H,52,53)(H2,38,40,41)(H3,39,43,44,49)/t23-,24-,27-,28-,29-,30-,35-,36-/m1/s1
Synonyms:2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
Definition date:2022-06-07
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one

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数据于2025-10-22公开中

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